ChemSpider 2D Image | 19-Hydroxy-3-[(3-methylbutanoyl)oxy]urs-12-en-28-oic acid | C35H56O5

19-Hydroxy-3-[(3-methylbutanoyl)oxy]urs-12-en-28-oic acid

  • Molecular FormulaC35H56O5
  • Average mass556.816 Da
  • Monoisotopic mass556.412781 Da
  • ChemSpider ID4477382

More details:

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

19-Hydroxy-3-[(3-methylbutanoyl)oxy]urs-12-en-28-oic acid [ACD/IUPAC Name]
19-Hydroxy-3-[(3-methylbutanoyl)oxy]urs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 19-hydroxy-3-[(3-méthylbutanoyl)oxy]urs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 19-hydroxy-3-(3-methyl-1-oxobutoxy)- [ACD/Index Name]
Lantaiursolic 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: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.8±6.0 kJ/mol
Flash Point: 185.2±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 519847.66
ACD/KOC (pH 5.5): 211680.67
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 8226.38
ACD/KOC (pH 7.4): 3349.76
Polar Surface Area: 84 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 499.2±5.0 cm3

Click to predict properties on the Chemicalize site


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