ChemSpider 2D Image | 9-[(3xi)-5-Deoxy-5-iodo-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C10H12IN5O3

9-[(3ξ)-5-Deoxy-5-iodo-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC10H12IN5O3
  • Average mass377.138 Da
  • Monoisotopic mass376.998474 Da
  • ChemSpider ID23936415

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[(3ξ)-5-Deoxy-5-iodo-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[(3ξ)-5-Désoxy-5-iodo-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9-[(3ξ)-5-Desoxy-5-iod-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(3ξ)-5-deoxy-5-iodo-β-D-threo-pentofuranosyl]- [ACD/Index Name]
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(iodomethyl)oxolane-3,4-diol
5'-Iodo-5'-deoxy Adenosine
5-IODO-5-DEOXYADENOSINE
MFCD00005747

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

    Density: 2.5±0.1 g/cm3
    Boiling Point: 671.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 359.7±34.3 °C
    Index of Refraction: 1.951
    Molar Refractivity: 71.8±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 0.39
    ACD/BCF (pH 5.5): 1.16
    ACD/KOC (pH 5.5): 38.39
    ACD/LogD (pH 7.4): 0.41
    ACD/BCF (pH 7.4): 1.21
    ACD/KOC (pH 7.4): 39.76
    Polar Surface Area: 119 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 100.2±7.0 dyne/cm
    Molar Volume: 148.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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