ChemSpider 2D Image | (3beta,10alpha,17alpha)-3,19,24-Trihydroxyurs-12-en-28-oic acid | C30H48O5

(3β,10α,17α)-3,19,24-Trihydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID113611502

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,10α,17α)-3,19,24-Trihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(3β,10α,17α)-3,19,24-Trihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,10α,17α)-3,19,24-trihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,19,24-trihydroxy-, (3β,10α,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.8±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: 344.5±28.0 °C
Index of Refraction: 1.581
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 1405.89
ACD/KOC (pH 5.5): 3082.80
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 22.23
ACD/KOC (pH 7.4): 48.75
Polar Surface Area: 98 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 410.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement