ChemSpider 2D Image | (3beta)-3-Acetyl-3-hydroxyolean-12-en-28-oic acid | C32H50O4

(3β)-3-Acetyl-3-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID19005188

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-Acetyl-3-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-Acetyl-3-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-acétyl-3-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-acetyl-3-hydroxy-, (3β)- [ACD/Index Name]
Acetyloleanolic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 327.4±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 108271.09
ACD/KOC (pH 5.5): 76166.41
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 1703.47
ACD/KOC (pH 7.4): 1198.35
Polar Surface Area: 75 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site


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