ChemSpider 2D Image | 9-(5-O-Phosphono-beta-L-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione | C10H13N4O7PS

9-(5-O-Phosphono-β-L-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC10H13N4O7PS
  • Average mass364.272 Da
  • Monoisotopic mass364.024261 Da
  • ChemSpider ID32696914

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(5-O-Phosphono-β-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
9-(5-O-Phosphono-β-L-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
9-(5-O-Phosphono-β-L-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
9H-Purine-6-thiol, 9-(5-O-phosphono-β-L-ribofuranosyl)- [ACD/Index Name]
6-thioinosine 5'-monophosphate
6-thioinosinic acid monophosphate
6-thioinosinic acid monophosphateTIMP
TIMP

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

    Density: 2.3±0.1 g/cm3
    Boiling Point: 766.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.1±3.0 kJ/mol
    Flash Point: 417.3±35.7 °C
    Index of Refraction: 1.903
    Molar Refractivity: 75.3±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -0.52
    ACD/LogD (pH 5.5): -5.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 209 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 122.3±7.0 dyne/cm
    Molar Volume: 161.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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