ChemSpider 2D Image | 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)pentofuranosyl]-9H-purin-6-amine | C11H18N5O12P3

9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC11H18N5O12P3
  • Average mass505.208 Da
  • Monoisotopic mass505.016479 Da
  • ChemSpider ID2993

More details:

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

9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]méthyl}phosphoryl)pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]pentofuranosyl]- [ACD/Index Name]
({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid
7292-42-4 [RN]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 968.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.7±3.0 kJ/mol
Flash Point: 539.3±37.1 °C
Index of Refraction: 1.887
Molar Refractivity: 93.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.87
ACD/LogD (pH 5.5): -10.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 180.7±7.0 dyne/cm
Molar Volume: 202.0±7.0 cm3

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