ChemSpider 2D Image | (3alpha,11alpha)-3-Acetoxy-11-hydroxyurs-12-en-24-oic acid | C32H50O5

(3α,11α)-3-Acetoxy-11-hydroxyurs-12-en-24-oic acid

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID84393761

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3α,11α)-3-Acetoxy-11-hydroxyurs-12-en-24-oic acid [ACD/IUPAC Name]
(3α,11α)-3-Acetoxy-11-hydroxyurs-12-en-24-säure [German] [ACD/IUPAC Name]
Acide (3α,11α)-3-acétoxy-11-hydroxyurs-12-én-24-oïque [French] [ACD/IUPAC Name]
Urs-12-en-24-oic acid, 3-(acetyloxy)-11-hydroxy-, (3α,11α)- [ACD/Index Name]
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-3-acetyloxy-14-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
146019-25-2 [RN]
3-O-acetyl-11-hydroxy-β-boswellic acid
Urs-12-en-23-oic acid, 3-(acetyloxy)-11-hydroxy-, (3a,4b,11a)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 183.1±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.36
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 41296.02
ACD/KOC (pH 5.5): 30484.25
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 684.36
ACD/KOC (pH 7.4): 505.19
Polar Surface Area: 84 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 451.2±5.0 cm3

Click to predict properties on the Chemicalize site


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