ChemSpider 2D Image | 9-{5-O-[{[{[Amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-D-ribofuranosyl}-9H-purin-6-amine | C10H17N6O12P3

9-{5-O-[{[{[Amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-D-ribofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC10H17N6O12P3
  • Average mass506.196 Da
  • Monoisotopic mass506.011719 Da
  • ChemSpider ID24674544

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-{5-O-[{[{[Amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-D-ribofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[{[{[Amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-D-ribofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[{[{[Amino(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-D-ribofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[(aminohydroxyphosphinyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-D-ribofuranosyl]- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 931.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 517.1±37.1 °C
Index of Refraction: 1.923
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.56
ACD/LogD (pH 5.5): -10.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 201.1±7.0 dyne/cm
Molar Volume: 191.9±7.0 cm3

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