ChemSpider 2D Image | 6-Chloro-9-[(2xi)-beta-D-threo-pentofuranosyl]-9H-purine | C10H11ClN4O4

6-Chloro-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purine

  • Molecular FormulaC10H11ClN4O4
  • Average mass286.672 Da
  • Monoisotopic mass286.046875 Da
  • ChemSpider ID23977367

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

6-Chlor-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin [German] [ACD/IUPAC Name]
6-Chloro-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purine [ACD/IUPAC Name]
6-Chloro-9-[(2ξ)-β-D-thréo-pentofuranosyl]-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 6-chloro-9-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
(2R,3R,4S,5R)-2-(6-Chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
(2R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
2004-06-0 [RN]
5399-87-1 [RN]
6-Chloro-6-deoxyinosine
6-Chloro-9-(b-D-ribofuranosyl)purine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5399-87-1,2004-06-0 [DBID]

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 614.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.9±3.0 kJ/mol
    Flash Point: 325.6±34.3 °C
    Index of Refraction: 1.846
    Molar Refractivity: 62.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.56
    ACD/LogD (pH 5.5): -0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.19
    ACD/LogD (pH 7.4): -0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 17.19
    Polar Surface Area: 114 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 90.9±7.0 dyne/cm
    Molar Volume: 140.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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