ChemSpider 2D Image | 9-[3-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-9H-purin-6-ol | C10H15N4O13P3

9-[3-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-9H-purin-6-ol

  • Molecular FormulaC10H15N4O13P3
  • Average mass492.166 Da
  • Monoisotopic mass491.984833 Da
  • ChemSpider ID57492213
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

9-[3-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-9H-purin-6-ol [ACD/IUPAC Name]
9-[3-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-[3-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[3-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]- [ACD/Index Name]
89139-47-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 908.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 503.3±37.1 °C
Index of Refraction: 1.857
Molar Refractivity: 87.9±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.42
ACD/LogD (pH 5.5): -11.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 177.3±7.0 dyne/cm
Molar Volume: 195.7±7.0 cm3

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