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

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

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID31148968

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β)-2,3-Dihydroxyoléan-12-én-28-oate de propyle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,3-dihydroxy-, propyl ester, (2α,3β)- [ACD/Index Name]
Propyl (2α,3β)-2,3-dihydroxyolean-12-en-28-oate [ACD/IUPAC Name]
Propyl-(2α,3β)-2,3-dihydroxyolean-12-en-28-oat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 167.4±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 8.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1528812.75
ACD/LogD (pH 7.4): 8.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1528812.75
Polar Surface Area: 67 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 469.7±5.0 cm3

Click to predict properties on the Chemicalize site


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