![C34H39N3O8 Cytidinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9Cl, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl- (9CI, ACI) Imago Praecipua](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9Cl, ACI)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 617.69 | - |
| Punctum Ebullitionis (Praedictum) | 762.6±70.0°C | Prelum: 760 Torr |
| Densitas (Praedicta) | 1.27±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 13.31±0.70 | Temperatura Acida Maxima: 25°C |
SMILES Canonici O = C1N = C(N)C (= CN1C2OC (COC(C = 3C = CC = CC3)(C4 = CC = C(OC)C = C4)C5 = CC = C(OC)C = C5)C(O)C2OCCOC)C
SMILES Isomerica C(OC[C@H]¹O[C@H]([C@H](OCCOC)[C@@H]¹O)N²C(=O)N=C(N)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32)21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-,32-/m1/s1
Clavis InChI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
XXIV Alia Nomina Huius Substantiae
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidinum (ACI); 11: PN: US20030170636 PAGINA: 17 RNA vindicata; 12: PN: US20030211606 PAGINA: 18 R vindicata NA; 12: PN: US20030212017 PAGINA: 19 R vindicata NA; 14: PN: US20040005569 PAGINA E: 21 R vindicata NA; 15: PN: US20040005565 PAGINA: 17-22 RNA vindicata; 15: PN: US20040005570 PAGINA: 19 R vindicata NA; 15: PN: US20040006030 PAGINA: 22 R vindicata NA; 15: PN: US20040014048 PAGINA: 19 vindicata R NA; 16: PN: US20030171313 PAGINA: 9 vindicata RNA; 16: PN: US20030198965 PAGINA: 19 vindicata R NA; 16: PN: US20040014047 PAGINA: 19 vindicata R NA; 16: PN: US20040014049 PAGINA:
19 RNA vindicata; 17: PN: US20040014051 PAGINA: 21 R NA vindicata; 17: PN: US20040014699 PAGINA: 19 R NA vindicata; 17: PN: W
O03106645 PAGINA: 69 vindicata R NA; 18: PN: US20040006029 PAGINA: 22 vindicata R NA; 2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5-methylcytidinum; 58: PN: US20030166592 PAGINA: 15 vindicata R NA; 5: PN: WO2005006958 PAGINA: 61 vindicata R NA; 7: PN: WO20050 07825 PAGINA: 61 vindicata R NA; 82: PN: US20040171566 PAGINA: 18 vindicata R NA; 89: PN: US20040005707 PAGINA: 19 vindicata R NA; 9: PN: WO03084478 PAGINA: 56 vindicata R NA
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
| Thermalis |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 1.56 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.99 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 6.19 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 38.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 116 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 146 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | CL | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 151 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 151 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 151 | 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 | 13.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 16.6 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 51.8 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 318 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 966 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 1220 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 1260 | pH 7; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 1260 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 1260 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 1260 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 1.18 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 1.29 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 1.78 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 2.57 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 3.05 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 3.16 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 3.17 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 3.17 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 3.17 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 3.17 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 3.169±0.598 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 5.2 × 10⁻³ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.51 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.40 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.13 g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.020 g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.8 × 10⁻³ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.4 × 10⁻³ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.3 × 10⁻³ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.2 × 10⁻³ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.2 × 10⁻³ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.2 × 10⁻³ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.3 × 10⁻³ g/L | Aqua non tamponata pH 7.05; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 8.4 × 10⁻⁶ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.2 × 10⁻⁴ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.4 × 10⁻⁴ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.1 × 10⁻⁴ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.3 × 10⁻⁵ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁵ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 8.7 × 10⁻⁶ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.5 × 10⁻⁶ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.4 × 10⁻⁶ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.4 × 10⁻⁶ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.4 × 10⁻⁶ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.5 × 10⁻⁶ mol/L | Aqua non tamponata pH 7.05; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 617.69 | ||
| pKa | 13.31±0.70 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 4.58±0.10 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
| Pressio Vaporis | 1.89 × 10-24 Torr | Temperatura: 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 | 1.27±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 483.8±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 | 14 | (1) ACD | |
| Acceptores H | 11 | (1) ACD | |
| Donatores H | 3 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 14 | (1) ACD | |
| logP | 3.169±0.598 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 617.69 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 134 A2 | (1) ACD | |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermalis
| Possessio | Valor | Conditio | Fons |
| Punctum Ebullitionis | 762.6±70.0°C | Prelum: 760 Torr | (1) ACD |
| Enthalpia Vaporizationis | 116.53±3.0 kJ/mol | Prelum: 760 Torr | (1) ACD |
| Punctum Inflammationis | 415.0±35.7°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
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