ChemSpider 2D Image | (3beta,5xi)-3-Acetoxyurs-12-en-28-oic acid | C32H50O4

(3β,5ξ)-3-Acetoxyurs-12-en-28-oic acid

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID19270414

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5ξ)-3-Acetoxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ)-3-Acetoxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ)-3-acétoxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-(acetyloxy)-, (3β,5ξ)- [ACD/Index Name]
7372-30-7 [RN]
Acetylursolic acid
MFCD09752431
Ursolic acid acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 171.7±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 9.91
ACD/LogD (pH 5.5): 8.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 416134.84
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 17687.19
ACD/KOC (pH 7.4): 6568.53
Polar Surface Area: 64 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 453.4±5.0 cm3

Click to predict properties on the Chemicalize site


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