ChemSpider 2D Image | 9-(5-O-{Hydroxy[(hydroxy{[hydroxy(1H-imidazol-1-yl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}pentofuranosyl)-9H-purin-6-amine | C13H18N7O12P3

9-(5-O-{Hydroxy[(hydroxy{[hydroxy(1H-imidazol-1-yl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}pentofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC13H18N7O12P3
  • Average mass557.243 Da
  • Monoisotopic mass557.022644 Da
  • ChemSpider ID57492044

More details:

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

9-(5-O-{Hydroxy[(hydroxy{[hydroxy(1H-imidazol-1-yl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}pentofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[hydroxy(1H-imidazol-1-yl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}pentofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[hydroxy(1H-imidazol-1-yl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}pentofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[(hydroxy-1H-imidazol-1-ylphosphinyl)oxy]phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]
81483-81-0 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 962.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 536.1±37.1 °C
Index of Refraction: 1.902
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.09
ACD/LogD (pH 5.5): -10.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 169.4±7.0 dyne/cm
Molar Volume: 230.2±7.0 cm3

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