ChemSpider 2D Image | 9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-6-hydroxy-7,9-dihydro-8H-purin-8-one | C10H15N4O14P3

9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-6-hydroxy-7,9-dihydro-8H-purin-8-one

  • Molecular FormulaC10H15N4O14P3
  • Average mass508.166 Da
  • Monoisotopic mass507.979767 Da
  • ChemSpider ID57491466

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

8H-Purin-8-one, 9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-7,9-dihydro-6-hydroxy- [ACD/Index Name]
9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-6-hydroxy-7,9-dihydro-8H-purin-8-one [ACD/IUPAC Name]
9-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-6-hydroxy-7,9-dihydro-8H-purin-8-on [German] [ACD/IUPAC Name]
9-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-6-hydroxy-7,9-dihydro-8H-purin-8-one [French] [ACD/IUPAC Name]
508219-93-0 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -7.25
ACD/LogD (pH 5.5): -12.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 138.7±3.0 dyne/cm
Molar Volume: 240.0±3.0 cm3

Click to predict properties on the Chemicalize site


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