ChemSpider 2D Image | 9-[(2R,4aR,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-[(2R,4aR,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 ID44750354
  • 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-[(2R,4aR,6R,7R,7aR)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
9-[(2R,4aR,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-[(2R,4aR,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-[(2R,4aR,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]
222-593-7 [EINECS]
3545-76-4 [RN]
9-(3,9-Dihydroxy-3-oxo-2,4,7-trioxa-3?5-phosphabicyclo[4.3.0]nonan-8-yl)-3H-purin-6-one
Inosine-3',5'-cyclic-monophosphate free acid

    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

    Click to predict properties on the Chemicalize site






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