ChemSpider 2D Image | (2alpha,3beta)-2-Acetoxy-3-hydroxyolean-12-en-28-oic acid | C32H50O5

(2α,3β)-2-Acetoxy-3-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID10191076

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β)-2-Acetoxy-3-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2-Acetoxy-3-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
758718-51-3 [RN]
Acide (2α,3β)-2-acétoxy-3-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2-(acetyloxy)-3-hydroxy-, (2α,3β)- [ACD/Index Name]
(2α,3β)- 2-(Acetyloxy)-3-hydroxy- olean-12-en-28-oic acid
(2α,3β)-2-(ACETYLOXY)-3-HYDROXY-OLEAN-12-EN-28-OIC ACID
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4534526/

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

Density: 1.1±0.0 g/cm3
Boiling Point: 588.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±0.0 kJ/mol
Flash Point: 179.0±0.0 °C
Index of Refraction: 1.555
Molar Refractivity: 144.7±0.0 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 100877.91
ACD/KOC (pH 5.5): 72274.63
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 1586.91
ACD/KOC (pH 7.4): 1136.95
Polar Surface Area: 84 Å2
Polarizability: 57.4±0.0 10-24cm3
Surface Tension: 47.2±0.0 dyne/cm
Molar Volume: 450.4±0.0 cm3

Click to predict properties on the Chemicalize site


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