ChemSpider 2D Image | 9-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-beta-L-xylofuranosyl)-9H-purin-6-amine | C10H17N5O16P4

9-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC10H17N5O16P4
  • Average mass587.161 Da
  • Monoisotopic mass586.962097 Da
  • ChemSpider ID57643493

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-xylofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]phosphinyl]-β-L-xylofuranosyl]- [ACD/Index Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1020.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.2±3.0 kJ/mol
Flash Point: 571.1±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.45
ACD/LogD (pH 5.5): -13.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 365 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 220.9±7.0 dyne/cm
Molar Volume: 213.7±7.0 cm3

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