ChemSpider 2D Image | 2-Amino-9-[(1R,2S)-2,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-6H-purin-6-one | C11H15N5O3

2-Amino-9-[(1R,2S)-2,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC11H15N5O3
  • Average mass265.268 Da
  • Monoisotopic mass265.117493 Da
  • ChemSpider ID48060318

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Amino-9-[(1R,2S)-2,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(1R,2S)-2,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(1R,2S)-2,3-bis(hydroxyméthyl)cyclobutyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[(1R,2S)-2,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro- [ACD/Index Name]
1276016-29-5 [RN]
1346597-42-9 [RN]
2-amino-9-[(1R,2S)-2,3-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one
Lobucavir-d4

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

    Density: 1.9±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.882
    Molar Refractivity: 63.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -1.24
    ACD/LogD (pH 5.5): -0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.53
    ACD/LogD (pH 7.4): -0.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 9.50
    Polar Surface Area: 126 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 96.9±7.0 dyne/cm
    Molar Volume: 137.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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