ChemSpider 2D Image | 9-[(4aS,6R,7R,7aR)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one | C10H11N4O7P

9-[(4aS,6R,7R,7aR)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H11N4O7P
  • Average mass330.191 Da
  • Monoisotopic mass330.036530 Da
  • ChemSpider ID31044123
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

6H-Purin-6-one, 1,9-dihydro-9-[(4aS,6R,7R,7aR)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
9-[(4aS,6R,7R,7aR)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[(4aS,6R,7R,7aR)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-[(4aS,6R,7R,7aR)-2,7-Dihydroxy-2-oxydotétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
INOSINE-3',5'-CYCLIC PHOSPHATE

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.982
Molar Refractivity: 66.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 154 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 149.6±7.0 dyne/cm
Molar Volume: 133.6±7.0 cm3

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