ChemSpider 2D Image | [5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-2-furyl]methyl (3R)-3-hydroxy-4-{[3-({(E)-2-[(2-hydroxyethyl)sulfanyl]vinyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphospha te | C23H34N7O17P3S

[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-2-furyl]methyl (3R)-3-hydroxy-4-{[3-({(E)-2-[(2-hydroxyethyl)sulfanyl]vinyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphospha te

  • Molecular FormulaC23H34N7O17P3S
  • Average mass805.539 Da
  • Monoisotopic mass805.094482 Da
  • ChemSpider ID35033775

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-2-furyl]methyl (3R)-3-hydroxy-4-{[3-({(E)-2-[(2-hydroxyethyl)sulfanyl]vinyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphospha te [ACD/IUPAC Name]
[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-2-furyl]methyl-(3R)-3-hydroxy-4-{[3-({(E)-2-[(2-hydroxyethyl)sulfanyl]vinyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-2-furyl]méthyle et de (3R)-3-hydroxy-4-{[3-({(E)-2-[(2-hydroxyéthyl)sulfanyl]vinyl}amino)-3-oxopropyl]amino}-2,2-diméthy l-4-oxobutyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 167.8±0.5 cm3
#H bond acceptors: 24
#H bond donors: 11
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -5.39
ACD/LogD (pH 5.5): -11.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 425 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 100.1±7.0 dyne/cm
Molar Volume: 426.2±7.0 cm3

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