ChemSpider 2D Image | Propyl (2alpha,3beta)-2,3-dihydroxyurs-12-en-28-oate | C33H54O4

Propyl (2α,3β)-2,3-dihydroxyurs-12-en-28-oate

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID23296158

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β)-2,3-Dihydroxyurs-12-én-28-oate de propyle [French] [ACD/IUPAC Name]
Propyl (2α,3β)-2,3-dihydroxyurs-12-en-28-oate [ACD/IUPAC Name]
Propyl-(2α,3β)-2,3-dihydroxyurs-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3-dihydroxy-, propyl ester, (2α,3β)- [ACD/Index Name]
(1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-propyl 10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 168.5±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1376916.00
ACD/LogD (pH 7.4): 8.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1376916.00
Polar Surface Area: 67 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 470.6±5.0 cm3

Click to predict properties on the Chemicalize site


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