ChemSpider 2D Image | Bredemolic acid | C30H48O4

Bredemolic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID24638715
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2β,3α)-2,3-Dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2β,3α)-2,3-Dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
5957-40-4 [RN]
Acide (2β,3α)-2,3-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Bredemolic acid
Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2β,3α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 570.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 312.6±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 37822.75
ACD/KOC (pH 5.5): 35896.00
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 595.11
ACD/KOC (pH 7.4): 564.79
Polar Surface Area: 78 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

Click to predict properties on the Chemicalize site






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