ChemSpider 2D Image | (2R,5R)-2-(6-amino-1-oxido-purin-1-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | C10H13N5O5

(2R,5R)-2-(6-amino-1-oxido-purin-1-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

  • Molecular FormulaC10H13N5O5
  • Average mass283.241 Da
  • Monoisotopic mass283.091675 Da
  • ChemSpider ID23926397

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S,2R,3R,5R)-5-(6-amino-1-hydroxypurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
2-(6-amino-1-oxido-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydro-3,4-furandiol
6-amino-9-((2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purine 1-oxide

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

    Density: 2.2±0.1 g/cm3
    Boiling Point: 777.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.7±3.0 kJ/mol
    Flash Point: 424.0±35.7 °C
    Index of Refraction: 1.911
    Molar Refractivity: 61.7±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: -2.10
    ACD/LogD (pH 5.5): -2.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.29
    ACD/LogD (pH 7.4): -2.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.30
    Polar Surface Area: 152 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 117.3±7.0 dyne/cm
    Molar Volume: 131.5±7.0 cm3

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