ChemSpider 2D Image | (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol | C32H33N5O4

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol

  • Molecular FormulaC32H33N5O4
  • Average mass551.635 Da
  • Monoisotopic mass551.253235 Da
  • ChemSpider ID23345635

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol
(1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentanol [ACD/IUPAC Name]
(1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentanol [German] [ACD/IUPAC Name]
(1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)méthyl]cyclopentanol [French] [ACD/IUPAC Name]
142217-77-4 [RN]
Cyclopentanol, 5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (1S,2S,3S,5S)- [ACD/Index Name]
(1S,2S,3S,5S)-5-(2-amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-((benzyloxy)methyl)cyclopentan-1-ol
(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cydopentanol
(1S,2S,3S,5S)-5-(2-amino-6-benzyloxy-9H-purin-9-yl)-3-benzyloxy-2-(benzyloxymethyl)Cyclopentanol
(1S,2S,3S,5S)-5-(2-amino-6-benzyloxy-purin-9-yl)-3-benzyloxy-2-(benzyloxymethyl)cyclopentanol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 780.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 119.1±3.0 kJ/mol
    Flash Point: 425.9±35.7 °C
    Index of Refraction: 1.670
    Molar Refractivity: 154.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.32
    ACD/LogD (pH 5.5): 4.59
    ACD/BCF (pH 5.5): 1814.95
    ACD/KOC (pH 5.5): 7469.48
    ACD/LogD (pH 7.4): 4.59
    ACD/BCF (pH 7.4): 1829.56
    ACD/KOC (pH 7.4): 7529.60
    Polar Surface Area: 118 Å2
    Polarizability: 61.4±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 414.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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