ChemSpider 2D Image | 2-(2-Cyclohexylethoxy)-9-[(3xi)-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C18H27N5O5

2-(2-Cyclohexylethoxy)-9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC18H27N5O5
  • Average mass393.438 Da
  • Monoisotopic mass393.201233 Da
  • ChemSpider ID58779780

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-(2-Cyclohexylethoxy)-9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-(2-Cyclohexylethoxy)-9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
2-(2-Cyclohexyléthoxy)-9-[(3ξ)-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-(2-cyclohexylethoxy)-9-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
(2R,3S,5R)-2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
131933-18-1 [RN]
2-(2-Cyclohexylethoxy)adenosine [ACD/IUPAC Name]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 719.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.3±3.0 kJ/mol
    Flash Point: 388.7±35.7 °C
    Index of Refraction: 1.751
    Molar Refractivity: 95.7±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): 0.65
    ACD/BCF (pH 5.5): 1.85
    ACD/KOC (pH 5.5): 53.97
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.86
    ACD/KOC (pH 7.4): 54.22
    Polar Surface Area: 149 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 73.0±7.0 dyne/cm
    Molar Volume: 234.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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