ChemSpider 2D Image | (3beta,6beta)-3,6,19-Trihydroxy-23-oxours-12-en-28-oic acid | C30H46O6

(3β,6β)-3,6,19-Trihydroxy-23-oxours-12-en-28-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID10283561

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,6β)-3,6,19-Trihydroxy-23-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(3β,6β)-3,6,19-Trihydroxy-23-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,6β)-3,6,19-trihydroxy-23-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,6,19-trihydroxy-23-oxo-, (3β,6β)- [ACD/Index Name]
[131984-82-2] [RN]
131984-82-2 [RN]
3,6,19-Trihydroxy-23-oxo-12-ursen-28-oic acid
3β,6β,19α-trihydroxy-23-oxo-urs-12-en-28-oic acid
MFCD20274896

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 647.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.3±6.0 kJ/mol
    Flash Point: 359.2±28.0 °C
    Index of Refraction: 1.587
    Molar Refractivity: 136.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 4.49
    ACD/LogD (pH 5.5): 3.64
    ACD/BCF (pH 5.5): 186.23
    ACD/KOC (pH 5.5): 707.14
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 2.96
    ACD/KOC (pH 7.4): 11.25
    Polar Surface Area: 115 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 407.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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