ChemSpider 2D Image | (2beta,3alpha)-2,3-Dihydroxyoleana-5,12-dien-28-oic acid | C30H46O4

(2β,3α)-2,3-Dihydroxyoleana-5,12-dien-28-oic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID24700753

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2β,3α)-2,3-Dihydroxyoleana-5,12-dien-28-oic acid [ACD/IUPAC Name]
(2β,3α)-2,3-Dihydroxyoleana-5,12-dien-28-säure [German] [ACD/IUPAC Name]
Acide (2β,3α)-2,3-dihydroxyoléana-5,12-dién-28-oïque [French] [ACD/IUPAC Name]
Oleana-5,12-dien-28-oic acid, 2,3-dihydroxy-, (2β,3α)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483444/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 318.4±26.6 °C
Index of Refraction: 1.579
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 31045.98
ACD/KOC (pH 5.5): 30986.69
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 488.25
ACD/KOC (pH 7.4): 487.32
Polar Surface Area: 78 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

Click to predict properties on the Chemicalize site


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