ChemSpider 2D Image | (2alpha,3beta)-3-Acetoxy-2-hydroxylup-20(29)-en-28-oic acid | C32H50O5

(2α,3β)-3-Acetoxy-2-hydroxylup-20(29)-en-28-oic acid

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID57257112

  • 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-hydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-3-Acetoxy-2-hydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β)-3-acétoxy-2-hydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-2-hydroxy-, (2α,3β)- [ACD/Index Name]
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-acetyloxy-10-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
1163728-89-9 [RN]
2α-hydroxy-3β-acetyloxy-betulic 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: 585.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 177.6±18.1 °C
Index of Refraction: 1.550
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 21699.85
ACD/KOC (pH 5.5): 23634.95
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 341.01
ACD/KOC (pH 7.4): 371.42
Polar Surface Area: 84 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 453.2±5.0 cm3

Click to predict properties on the Chemicalize site


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