ChemSpider 2D Image | (3beta,16beta,22alpha)-Urs-12-ene-3,16,22-triol | C30H50O3

(3β,16β,22α)-Urs-12-ene-3,16,22-triol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID28425519

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,16β,22α)-Urs-12-en-3,16,22-triol [German] [ACD/IUPAC Name]
(3β,16β,22α)-Urs-12-ene-3,16,22-triol [ACD/IUPAC Name]
(3β,16β,22α)-Urs-12-ène-3,16,22-triol [French] [ACD/IUPAC Name]
Urs-12-ene-3,16,22-triol, (3β,16β,22α)- [ACD/Index Name]
[1242085-06-8] [RN]
1242085-06-8 [RN]
12-Ursene-3,16,22-triol
MFCD20274898

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 554.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 96.0±6.0 kJ/mol
    Flash Point: 226.1±24.7 °C
    Index of Refraction: 1.560
    Molar Refractivity: 134.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 7.47
    ACD/LogD (pH 5.5): 7.19
    ACD/BCF (pH 5.5): 172753.47
    ACD/KOC (pH 5.5): 195220.94
    ACD/LogD (pH 7.4): 7.19
    ACD/BCF (pH 7.4): 172753.47
    ACD/KOC (pH 7.4): 195220.94
    Polar Surface Area: 61 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 45.6±5.0 dyne/cm
    Molar Volume: 417.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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