ChemSpider 2D Image | 9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-ol 1-oxide | C10H14N4O12P2

9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol 1-oxide

  • Molecular FormulaC10H14N4O12P2
  • Average mass444.185 Da
  • Monoisotopic mass444.008331 Da
  • ChemSpider ID57491619

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Oxyde de 9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol [French] [ACD/IUPAC Name]
9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol 1-oxide [ACD/IUPAC Name]
9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol-1-oxid [German] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-, 1-oxide [ACD/Index Name]
61468-64-2 [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: 958.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.2±3.0 kJ/mol
Flash Point: 533.6±37.1 °C
Index of Refraction: 1.887
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.79
ACD/LogD (pH 5.5): -10.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 175.9±7.0 dyne/cm
Molar Volume: 174.9±7.0 cm3

Click to predict properties on the Chemicalize site


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