ChemSpider 2D Image | 2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid | C30H48O6

2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID4478906

More details:

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

2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
2,3,7,19-Tetrahydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 2,3,7,19-tétrahydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,7,19-tetrahydroxy- [ACD/Index Name]
Roxburic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 351.7±28.0 °C
Index of Refraction: 1.591
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 153.15
ACD/KOC (pH 5.5): 612.16
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 9.75
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 408.5±5.0 cm3

Click to predict properties on the Chemicalize site


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