ChemSpider 2D Image | 6-Ethoxy-6-oxohexyl (3beta)-3-hydroxy-11-oxoolean-12-en-30-oate | C38H60O6

6-Ethoxy-6-oxohexyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate

  • Molecular FormulaC38H60O6
  • Average mass612.879 Da
  • Monoisotopic mass612.438965 Da
  • ChemSpider ID28532574

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxy-11-oxooléan-12-én-30-oate de 6-éthoxy-6-oxohexyle [French] [ACD/IUPAC Name]
6-Ethoxy-6-oxohexyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
6-Ethoxy-6-oxohexyl-(3β)-3-hydroxy-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-hydroxy-11-oxo-, 6-ethoxy-6-oxohexyl ester, (3β)- [ACD/Index 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: 660.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±6.0 kJ/mol
Flash Point: 192.4±25.0 °C
Index of Refraction: 1.539
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 8.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 778359.13
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 778359.13
Polar Surface Area: 90 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 551.6±5.0 cm3

Click to predict properties on the Chemicalize site


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