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

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

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID16737659

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β)-2-(acetyloxy)-3-hydroxyurs-12-en-28-oic acid
(2α,3β)-2-Acetoxy-3-hydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2-Acetoxy-3-hydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β)-2-acétoxy-3-hydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2-(acetyloxy)-3-hydroxy-, (2α,3β)- [ACD/Index Name]
(1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-11-acetoxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
130289-37-1 [RN]
2-o-Acetylcorosolic acid
cecropic 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: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 180.2±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: 8.06
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 78351.58
ACD/KOC (pH 5.5): 61532.29
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 1235.36
ACD/KOC (pH 7.4): 970.17
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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