ChemSpider 2D Image | (2R,3R,4S)-2-(6-Amino-9H-purin-9-yl)tetrahydro-3,4-furandiol | C9H11N5O3

(2R,3R,4S)-2-(6-Amino-9H-purin-9-yl)tetrahydro-3,4-furandiol

  • Molecular FormulaC9H11N5O3
  • Average mass237.215 Da
  • Monoisotopic mass237.086182 Da
  • ChemSpider ID57522847

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-2-(6-Amino-9H-purin-9-yl)tetrahydro-3,4-furandiol [German] [ACD/IUPAC Name]
(2R,3R,4S)-2-(6-Amino-9H-purin-9-yl)tetrahydro-3,4-furandiol [ACD/IUPAC Name]
(2R,3R,4S)-2-(6-Amino-9H-purin-9-yl)tétrahydro-3,4-furanediol [French] [ACD/IUPAC Name]
3,4-Furandiol, 2-(6-amino-9H-purin-9-yl)tetrahydro-, (2R,3R,4S)- [ACD/Index Name]
(2R,3R,4S)-2-(6-Amino-9H-purin-9-yl)oxolane-3,4-diol
(2R,3R,4S)-2-(6-Amino-9H-purin-9-yl)tetrahydrofuran-3,4-diol
14266-03-6 [RN]
MFCD30470650

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

    Density: 2.1±0.1 g/cm3
    Boiling Point: 620.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.6±3.0 kJ/mol
    Flash Point: 328.8±34.3 °C
    Index of Refraction: 1.927
    Molar Refractivity: 54.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.38
    ACD/LogD (pH 5.5): -0.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.02
    ACD/LogD (pH 7.4): -0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.42
    Polar Surface Area: 119 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 106.3±7.0 dyne/cm
    Molar Volume: 114.8±7.0 cm3

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