![C41H43N3O9 Cytidinum, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9Cl, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Imago Praecipua](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidinum, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9Cl, ACI) H335, H319, H315
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 721.80 | - |
| Punctum Liquefactionis (Experimentale) | 107-110°C | - |
| Densitas (Praedicta) | 1.26±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 8.60±0.40 | Temperatura Acida Maxima: 25°C |
SMILES Canonici O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
Subrisus Isomerici
C(OC[C@H]¹O[C@H]([C@H](OCCOC)[C@@H]¹O)N²C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29, 30-15-19-32 (49-3) 20-16-30) 31-17-21-33 (50-4) 22-18-31/h 5-22, 25, 34-36, 39, 45H, 23-24, 26H2, 1-4H3, (H, 42, 43, 46, 47)/t 34-, 3 5-, 36-, 39-/m¹/s¹
Clavis InChI
BYSCLUAIKFEFAH-LZURGKRNSA-N
XXIII Alia Nomina Huius Substantiae
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidinum (ACI); 10: PN: WO03084478 PAGINA: 57 RNA vindicata; 12: PN: US20030170636 PAGINA: 17 R NA vindicata; 13: PN: US20030212017 PAGINA: 19 R NA vindicata; 14: PN: US20030
211606 PAGINA: 19 vindicata R NA; 15: PN: US20040005569 PAGINA: 22 vindicata R NA; 16: PN: US20040006030 PAGINA: 22 vindicata R NA; 16: PN: US20040014048 PAGINA: 20 vindicata R NA; 17: PN: US20030171313 PAGINA: 9 vindicata R NA; 17: PN: US20040005565 PAGINA: 17-22 RNA vindicata; 17: PN: US20040005570 PAGINA: 20 vindicata R NA; 17: PN: US20040014047 PAGINA: 20 vindicata R NA; 17: PN: US20040 014050 PAGINA: 20 vindicata R NA; 18: PN: US20030198965 PAGINA: 19 vindicata R NA; 18: PN: US20040014699 PAGINA: 20 vindicata R NA; 19: PN: US20040006029 PAGINA: 23 vindicata R NA; 19: PN: WO03106645 PAGINA: 71 vindicata R NA; 59: PN: US20030166592 PAGINA: 15 RNA vindicata; 6: PN: WO2005006958 PAGINA: 62 vindicata R NA; 83: PN: US20040171566 PAGINA: 18 vindicata R NA; 8: PN: WO2005007825
PAGINA: 62 vindicata R NA; 90: PN: US20040005707 PAGINA: 20 vindicata R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidinum
| Proprietates praesto |
| Thermalis |
Thermalis
| Possessio | Valor | Conditio | Fons |
| Punctum Liquefactionis | 107-110°C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosida, Nucleotida et Acida Nucleica, (2018), 37(4), 232-247, CAplus.
Spectra praesto sunt
1H NMR
13C NMR
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 291 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | DCXLIV | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3690 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 15600 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 23700 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 24800 | pH 6; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 23300 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 14100 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3010 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 558 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chemica
| Possessio | Valor | Conditio | Fons |
| Koc | 569 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 1260 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 7210 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 30400 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 46300 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 48500 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 45500 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 27500 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 5890 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 1090 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 4.16 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 4.50 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 5.26 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 5.88 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 6.07 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 6.09 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 6.06 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 5.84 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 5.17 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 4.44 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 6.093±0.720 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 1.3 × 10⁻⁴ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.011 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.0 × 10⁻³ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.7 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.1 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Massae | 1.4 × 10⁻⁴ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.3 × 10⁻⁴ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.4 × 10⁻⁴ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.3 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.1 × 10⁻³ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.8 × 10⁻³ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.4 × 10⁻⁴ g/L | Aqua non tamponata pH 6.97; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.8 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.5 × 10⁻⁵ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.9 × 10⁻⁶ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.2 × 10⁻⁶ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.9 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.9 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.9 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.2 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.5 × 10⁻⁶ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.0 × 10⁻⁶ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.9 × 10⁻⁷ mol/L | Aqua non tamponata pH 6.97; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 721.80 | ||
| pKa | 8.60±0.40 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.87±0.20 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densitas
| Possessio | Valor | Conditio | Fons |
| Densitas | 1.26±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 572.5±7.0 cm³/mol | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 15 | (1) ACD | |
| Possessio | Valor | Conditio | Fons |
| Acceptores H | 12 | (1) ACD | |
| Donatores H | 2 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 14 | (1) ACD | |
| logP | 6.093±0.720 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 721.80 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 137 A2 | (1) ACD | |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
| Codex | Declaratio Periculi | Fons |
| H335 | Irritationem respirationis potest causare | Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes gravissimae |
| H319 | Gravem irritationem oculorum efficit | Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes gravissimae |
| H315 | Irritationem cutis efficit | Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Inventarium Classificationis et Inscriptionis Agentia Chemica Europaea (ECHA) - Classificatio et inscriptiones notificatae - notificationes gravissimae |
![C39H37N5O7 Adenosinum, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl- (9Cl, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C39H46FN4O8P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-onum, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![C34H39N3O8 Cytidinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9Cl, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C45H56N7O9P Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C48H54N7O8P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)