ChemSpider 2D Image | (1beta,3beta)-1,3,19-Trihydroxy-2-oxours-12-en-28-oic acid | C30H46O6

(1β,3β)-1,3,19-Trihydroxy-2-oxours-12-en-28-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID8800647

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,3β)-1,3,19-Trihydroxy-2-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(1β,3β)-1,3,19-Trihydroxy-2-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
1β,3β,19α-Trihydroxy-2-oxo-urs-12-en-28-oic acid
Acide (1β,3β)-1,3,19-trihydroxy-2-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 1,3,19-trihydroxy-2-oxo-, (1β,3β)- [ACD/Index Name]
(1R,2R,4aS,6aS,6bR,8aS,10R,12S,12aR,12bS,14bS)-1,10,12-trihydroxy-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
[217466-37-0] [RN]
1-Hydroxy-2-oxopomolic acid
1β-Hydroxy-2-oxopomolic acid
1β-hydroxy-2-oxopomolic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 649.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.7±6.0 kJ/mol
    Flash Point: 360.7±28.0 °C
    Index of Refraction: 1.586
    Molar Refractivity: 136.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 4.54
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 236.44
    ACD/KOC (pH 5.5): 851.72
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 3.75
    ACD/KOC (pH 7.4): 13.50
    Polar Surface Area: 115 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 55.5±5.0 dyne/cm
    Molar Volume: 407.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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