ChemSpider 2D Image | Ethyl (2alpha,3beta)-2,3-dihydroxyolean-12-en-28-oate | C32H52O4

Ethyl (2α,3β)-2,3-dihydroxyolean-12-en-28-oate

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID31148966

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β)-2,3-Dihydroxyoléan-12-én-28-oate d'éthyle [French] [ACD/IUPAC Name]
364062-05-5 [RN]
Ethyl (2α,3β)-2,3-dihydroxyolean-12-en-28-oate [ACD/IUPAC Name]
Ethyl-(2α,3β)-2,3-dihydroxyolean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,3-dihydroxy-, ethyl ester, (2α,3β)- [ACD/Index Name]
(2α,3β)-2,3-Dihydroxy-olean-12-en-28-oic acid ethyl ester
(2α,3β)-2,3-DIHYDROXY-OLEAN-12-EN-28-OIC ACID ETHYL ESTER

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 165.2±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 8.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 911924.81
ACD/LogD (pH 7.4): 8.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 911924.81
Polar Surface Area: 67 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

Click to predict properties on the Chemicalize site


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