ChemSpider 2D Image | 8-Bromo-9-[(3xi)-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C10H12BrN5O4

8-Bromo-9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC10H12BrN5O4
  • Average mass346.137 Da
  • Monoisotopic mass345.007263 Da
  • ChemSpider ID23977376

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

8-Brom-9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-Bromo-9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
8-Bromo-9-[(3ξ)-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 8-bromo-9-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
(2R,3R,4S,5R)-2-(6-amino-8-bromo-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
(2R,3S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

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

    Density: 2.5±0.1 g/cm3
    Boiling Point: 717.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.1±3.0 kJ/mol
    Flash Point: 387.8±35.7 °C
    Index of Refraction: 1.941
    Molar Refractivity: 67.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: -0.30
    ACD/LogD (pH 5.5): -0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.46
    ACD/LogD (pH 7.4): -0.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.49
    Polar Surface Area: 140 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 110.6±7.0 dyne/cm
    Molar Volume: 140.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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