ChemSpider 2D Image | (3beta)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid | C30H46O5

(3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID23327629

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3,19-Dihydroxy-2-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3,19-dihydroxy-2-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,19-dihydroxy-2-oxo-, (3β)- [ACD/Index Name]
(1R,2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
(3β)-3,19-dihydroxy-2-oxo-urs-12-en-28-oic acid
[54963-52-9] [RN]
2-oxopomolic acid
54963-52-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461703/
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 616.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±6.0 kJ/mol
    Flash Point: 340.9±28.0 °C
    Index of Refraction: 1.574
    Molar Refractivity: 135.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.49
    ACD/LogD (pH 5.5): 4.67
    ACD/BCF (pH 5.5): 1159.07
    ACD/KOC (pH 5.5): 2687.02
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 18.33
    ACD/KOC (pH 7.4): 42.49
    Polar Surface Area: 95 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 51.5±5.0 dyne/cm
    Molar Volume: 409.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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