ChemSpider 2D Image | N-[(1S,4R)-Bicyclo[2.2.1]hept-2-yl]-5'-chloro-5'-deoxyadenosine | C17H22ClN5O3

N-[(1S,4R)-Bicyclo[2.2.1]hept-2-yl]-5'-chloro-5'-deoxyadenosine

  • Molecular FormulaC17H22ClN5O3
  • Average mass379.841 Da
  • Monoisotopic mass379.141113 Da
  • ChemSpider ID57269960

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Adenosine, N-[(1S,4R)-bicyclo[2.2.1]hept-2-yl]-5'-chloro-5'-deoxy- [ACD/Index Name]
N-[(1S,4R)-Bicyclo[2.2.1]hept-2-yl]-5'-chlor-5'-desoxyadenosin [German] [ACD/IUPAC Name]
N-[(1S,4R)-Bicyclo[2.2.1]hept-2-yl]-5'-chloro-5'-deoxyadenosine [ACD/IUPAC Name]
N-[(1S,4R)-Bicyclo[2.2.1]hept-2-yl]-5'-chloro-5'-désoxyadénosine [French] [ACD/IUPAC Name]
103626-26-2 [RN]
MFCD16618391
N-Bicyclo[2.2.1]hept-2-yl-5'-chloro-5'-deoxyadenosine [ACD/IUPAC Name]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 675.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.1±3.0 kJ/mol
    Flash Point: 362.0±34.3 °C
    Index of Refraction: 1.864
    Molar Refractivity: 92.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 2.21
    ACD/BCF (pH 5.5): 28.29
    ACD/KOC (pH 5.5): 379.55
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.62
    ACD/KOC (pH 7.4): 383.93
    Polar Surface Area: 105 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 80.2±7.0 dyne/cm
    Molar Volume: 203.6±7.0 cm3

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