ChemSpider 2D Image | 6-Chloro-9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-9H-purin-2-amine | C10H12ClN5O3

6-Chloro-9-(2-deoxy-α-D-erythro-pentofuranosyl)-9H-purin-2-amine

  • Molecular FormulaC10H12ClN5O3
  • Average mass285.687 Da
  • Monoisotopic mass285.062866 Da
  • ChemSpider ID18873512

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6-Chlor-9-(2-desoxy-α-D-erythro-pentofuranosyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-Chloro-9-(2-deoxy-α-D-erythro-pentofuranosyl)-9H-purin-2-amine [ACD/IUPAC Name]
6-Chloro-9-(2-désoxy-α-D-érythro-pentofuranosyl)-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-chloro-9-(2-deoxy-α-D-erythro-pentofuranosyl)- [ACD/Index Name]
(2R,3S,5S)-5-(2-Amino-6-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
120595-72-4 [RN]
MFCD00672274
MFCD27923837

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 681.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.1±3.0 kJ/mol
    Flash Point: 366.2±34.3 °C
    Index of Refraction: 1.871
    Molar Refractivity: 63.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.11
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.18
    ACD/LogD (pH 7.4): -0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.19
    Polar Surface Area: 119 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 93.5±7.0 dyne/cm
    Molar Volume: 140.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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