ChemSpider 2D Image | (3beta)-3-Hydroxyurs-12-en-30-oic acid | C30H48O3

(3β)-3-Hydroxyurs-12-en-30-oic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID33823763

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-Hydroxyurs-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-Hydroxyurs-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-hydroxyurs-12-én-30-oïque [French] [ACD/IUPAC Name]
Urs-12-en-30-oic acid, 3-hydroxy-, (3β)- [ACD/Index Name]
78516-69-5 [RN]
Dulcioic acid
MFCD26406049

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 556.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 96.2±6.0 kJ/mol
    Flash Point: 304.1±26.6 °C
    Index of Refraction: 1.555
    Molar Refractivity: 133.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 8.97
    ACD/LogD (pH 5.5): 7.82
    ACD/BCF (pH 5.5): 347882.72
    ACD/KOC (pH 5.5): 201371.28
    ACD/LogD (pH 7.4): 6.04
    ACD/BCF (pH 7.4): 5717.00
    ACD/KOC (pH 7.4): 3309.28
    Polar Surface Area: 58 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 45.0±5.0 dyne/cm
    Molar Volume: 415.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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