ChemSpider 2D Image | ABACAVIR-D4 | C14H14D4N6O

ABACAVIR-D4

  • Molecular FormulaC14H14D4N6O
  • Average mass290.357 Da
  • Monoisotopic mass290.179321 Da
  • ChemSpider ID48058989

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(1S,4R)-4-{2-Amino-6-[(2,2,3,3-2H4)cyclopropylamino]-9H-purin-9-yl}-2-cyclopenten-1-yl]methanol [German] [ACD/IUPAC Name]
[(1S,4R)-4-{2-Amino-6-[(2,2,3,3-2H4)cyclopropylamino]-9H-purin-9-yl}-2-cyclopenten-1-yl]methanol [ACD/IUPAC Name]
[(1S,4R)-4-{2-Amino-6-[(2,2,3,3-2H4)cyclopropylamino]-9H-purin-9-yl}-2-cyclopentén-1-yl]méthanol [French] [ACD/IUPAC Name]
1260619-56-4 [RN]
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropyl-2,2,3,3-d4-amino)-9H-purin-9-yl]-, (1S,4R)- [ACD/Index Name]
ABACAVIR-D4
[(1S,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
1217731-56-0 [RN]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 636.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.8±3.0 kJ/mol
    Flash Point: 338.4±34.3 °C
    Index of Refraction: 1.864
    Molar Refractivity: 75.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 4.01
    ACD/KOC (pH 5.5): 84.10
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 5.91
    ACD/KOC (pH 7.4): 123.99
    Polar Surface Area: 102 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 80.2±7.0 dyne/cm
    Molar Volume: 167.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement