ChemSpider 2D Image | Rotundioic acid | C30H46O6

Rotundioic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID10283563

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β)-3,19-Dihydroxyurs-12-en-23,28-disäure [German] [ACD/IUPAC Name]
(3β)-3,19-Dihydroxyurs-12-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide (3β)-3,19-dihydroxyurs-12-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Rotundioic acid
Urs-12-ene-23,28-dioic acid, 3,19-dihydroxy-, (3β)- [ACD/Index Name]
(3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid
(3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
108524-94-3 [RN]
ilexgenina
MFCD30724959

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 653.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.2±6.0 kJ/mol
    Flash Point: 362.9±28.0 °C
    Index of Refraction: 1.587
    Molar Refractivity: 136.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 5.77
    ACD/LogD (pH 5.5): 3.57
    ACD/BCF (pH 5.5): 84.65
    ACD/KOC (pH 5.5): 183.21
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 115 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 56.3±5.0 dyne/cm
    Molar Volume: 406.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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