ChemSpider 2D Image | (2alpha,3beta,5beta,18alpha,19alpha)-2,3,23-Trihydroxyurs-12-en-28-oic acid | C30H48O5

(2α,3β,5β,18α,19α)-2,3,23-Trihydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID58131930

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2α,3β,5β,18α,19α)-2,3,23-Trihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β,5β,18α,19α)-2,3,23-Trihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β,5β,18α,19α)-2,3,23-trihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3β,5β,18α,19α)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348982/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 336.4±28.0 °C
Index of Refraction: 1.579
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: 6.46
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 4052.42
ACD/KOC (pH 5.5): 7387.77
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 63.90
ACD/KOC (pH 7.4): 116.49
Polar Surface Area: 98 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 410.8±5.0 cm3

Click to predict properties on the Chemicalize site


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