ChemSpider 2D Image | 3beta-acetoxy-2alpha-hydroxyurs-12-ene-28-oic acid | C32H50O5

3β-acetoxy-2α-hydroxyurs-12-ene-28-oic acid

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID10190619

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β)-3-Acetoxy-2-hydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-3-Acetoxy-2-hydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
3β-acetoxy-2α-hydroxyurs-12-ene-28-oic acid
Acide (2α,3β)-3-acétoxy-2-hydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-(acetyloxy)-2-hydroxy-, (2α,3β)- [ACD/Index Name]
(2α,3β)-3-(acetyloxy)-2-hydroxyurs-12-en-28-oic acid
3-O-Acetylcorosolic acid
3-ORTHO-ACETYLCOROSOLIC ACID
3-β-acetoxy-2-α-hydroxyurs-12-en-28-oic acid
700370-58-7 [RN]
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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): 78367.32
ACD/KOC (pH 5.5): 61544.65
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 1235.62
ACD/KOC (pH 7.4): 970.37
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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