![C36H39N5O8 Guanosinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-(9Cl, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-(9CI, ACI) Imago Praecipua](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-(9Cl, ACI)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 669.72 | - |
| Densitas (Praedicta) | 1.35±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 9.16±0.20 | Temperatura Acida Maxima: 25°C |
SMILES Canonica O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC
Subrisus Isomerici
C(OC[C@H]¹O[C@H]([C@H](OC)([C@@H]¹O)N²C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N³)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
=CC=C6
InChI
InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-2 2,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40,43,44)/t27-,29-,30-,34
-/m1/s1
Clavis InChI
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Aliud Nomen pro hac Substantia
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)guanosinum (ACI)
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | DCCXCVII | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | Anno MMXXX | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2400 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2450 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2450 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2450 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2420 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2170 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1070 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 195 | 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 | 3020 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 7680 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 9100 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 9270 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 9290 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 9280 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 9170 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 8220 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 4050 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | DCCXXXVII | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 4.27 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 4.68 | pH 2; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | 4.75 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 4.76 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 4.76 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 4.76 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 4.76 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 4.71 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 4.40 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 3.66 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 4.763±0.722 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 3.1 × 10⁻⁴ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.4 × 10⁻⁴ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.7 × 10⁻⁴ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁴ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁴ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁴ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 7.4 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.9 × 10⁻³ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁴ g/L | Aqua non tamponata pH 6.99; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 4.6 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻⁶ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.5 × 10⁻⁷ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.7 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.6 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.6 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.6 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.6 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.2 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁶ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.8 × 10⁻⁶ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 4.6 × 10⁻⁷ mol/L | Aqua non tamponata pH 6.99; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 669.72 | ||
| pKa | 9.16±0.20 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 1.73±0.10 | 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 | 1.35±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 494.4±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 | 12 | (1) ACD | |
| Acceptores H | 13 | (1) ACD | |
| Donatores H | 3 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 16 | (1) ACD | |
| logP | 4.763±0.722 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 669.72 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 155 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
![C44H49N5O7Si Adenosinum, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-(9Cl, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C33H39N5O6 L-Ornithinamidum, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9Cl, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![L-Ornithinamidum, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-(9Cl, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
