ChemSpider 2D Image | (2beta,3beta,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha,19alpha,20beta)-2,3,19-Trihydroxyurs-12-en-28-oic acid | C30H48O5

(2β,3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-2,3,19-Trihydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID82964173

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-2,3,19-Trihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2β,3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-2,3,19-Trihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2β,3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)-2,3,19-trihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2β,3β,5β,8α,9β,10α,14β,17α,18α,19α,20β)- [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: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 332.3±28.0 °C
Index of Refraction: 1.580
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 2289.95
ACD/KOC (pH 5.5): 4350.93
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 36.25
ACD/KOC (pH 7.4): 68.87
Polar Surface Area: 98 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 410.6±5.0 cm3

Click to predict properties on the Chemicalize site


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