ChemSpider 2D Image | (3beta)-3,24-Dihydroxyurs-12-en-28-oic acid | C30H48O4

(3β)-3,24-Dihydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23343125

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β)-3,24-Dihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3,24-Dihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3,24-dihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,24-dihydroxy-, (3β)- [ACD/Index Name]
24-hydroxyursolic acid
CHEMBL522373
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL522373/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 326.4±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: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 19016.97
ACD/KOC (pH 5.5): 22501.60
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 300.19
ACD/KOC (pH 7.4): 355.20
Polar Surface Area: 78 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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