ChemSpider 2D Image | (1r, 3s, 4r)-ent-entecavir | C12H15N5O3

(1r, 3s, 4r)-ent-entecavir

  • Molecular FormulaC12H15N5O3
  • Average mass277.279 Da
  • Monoisotopic mass277.117493 Da
  • ChemSpider ID21210932

More details:

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

(1r, 3s, 4r)-ent-entecavir
188399-46-4 [RN]
2-Amino-9-((1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
2-Amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylencyclopentyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxyméthyl)-2-méthylènecyclopentyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
2-amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-9H-purin-6-ol
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]- [ACD/Index Name]
1333204-94-6 [RN]
2-amino-1,9-dihydro-9-((1r,3s,4r)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6h-purin-6-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.837
    Molar Refractivity: 67.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: -0.96
    ACD/LogD (pH 5.5): -0.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.69
    ACD/LogD (pH 7.4): -0.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.65
    Polar Surface Area: 126 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 84.2±7.0 dyne/cm
    Molar Volume: 153.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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