ChemSpider 2D Image | (5xi,18alpha)-28-Hydroxy-3-oxoolean-12-en-29-oic acid | C30H46O4

(5ξ,18α)-28-Hydroxy-3-oxoolean-12-en-29-oic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID29365154

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5ξ,18α)-28-Hydroxy-3-oxoolean-12-en-29-oic acid [ACD/IUPAC Name]
(5ξ,18α)-28-Hydroxy-3-oxoolean-12-en-29-säure [German] [ACD/IUPAC Name]
381691-22-1 [RN]
Acide (5ξ,18α)-28-hydroxy-3-oxooléan-12-én-29-oïque [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 28-hydroxy-3-oxo-, (5ξ,18α)- [ACD/Index Name]
[381691-22-1] [RN]
MFCD26406050

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 320.0±26.6 °C
Index of Refraction: 1.564
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 9970.69
ACD/KOC (pH 5.5): 14616.18
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 158.45
ACD/KOC (pH 7.4): 232.28
Polar Surface Area: 75 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

Click to predict properties on the Chemicalize site


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