ChemSpider 2D Image | (3beta)-3-Hydroxy(2,2,3-~2~H_3_)olean-12-en-28-oic acid | C30H45D3O3

(3β)-3-Hydroxy(2,2,3-2H3)olean-12-en-28-oic acid

  • Molecular FormulaC30H45D3O3
  • Average mass459.719 Da
  • Monoisotopic mass459.379181 Da
  • ChemSpider ID48060837

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β)-3-Hydroxy(2,2,3-2H3)olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-Hydroxy(2,2,3-2H3)olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-hydroxy(2,2,3-2H3)oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic-2,2,3-d3 acid, 3-hydroxy-, (3β)- [ACD/Index Name]
946530-77-4 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 553.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 95.9±6.0 kJ/mol
    Flash Point: 302.6±26.6 °C
    Index of Refraction: 1.557
    Molar Refractivity: 133.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 9.06
    ACD/LogD (pH 5.5): 7.71
    ACD/BCF (pH 5.5): 255162.84
    ACD/KOC (pH 5.5): 141777.56
    ACD/LogD (pH 7.4): 5.90
    ACD/BCF (pH 7.4): 4017.71
    ACD/KOC (pH 7.4): 2232.38
    Polar Surface Area: 58 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 45.4±5.0 dyne/cm
    Molar Volume: 414.9±5.0 cm3

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