ChemSpider 2D Image | (2alpha,3alpha)-2,3-Dihydroxylup-20(29)-en-28-oic acid | C30H48O4

(2α,3α)-2,3-Dihydroxylup-20(29)-en-28-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID108341198

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3α)-2,3-Dihydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(2α,3α)-2,3-Dihydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3α)-2,3-dihydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 2,3-dihydroxy-, (2α,3α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 310.4±21.1 °C
Index of Refraction: 1.546
Molar Refractivity: 134.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 7156.38
ACD/KOC (pH 5.5): 10715.21
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 112.47
ACD/KOC (pH 7.4): 168.41
Polar Surface Area: 78 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 425.8±3.0 cm3

Click to predict properties on the Chemicalize site


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