ChemSpider 2D Image | 2-Methyl-2-propanyl (3beta)-3,23-diacetoxylup-20(29)-en-28-oate | C38H60O6

2-Methyl-2-propanyl (3β)-3,23-diacetoxylup-20(29)-en-28-oate

  • Molecular FormulaC38H60O6
  • Average mass612.879 Da
  • Monoisotopic mass612.438965 Da
  • ChemSpider ID26343300

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β)-3,23-Diacétoxylup-20(29)-én-28-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3β)-3,23-diacetoxylup-20(29)-en-28-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3β)-3,23-diacetoxylup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3,23-bis(acetyloxy)-, 1,1-dimethylethyl 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: 607.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 244.7±24.6 °C
Index of Refraction: 1.525
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.72
ACD/LogD (pH 5.5): 9.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5669644.00
ACD/LogD (pH 7.4): 9.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5669644.00
Polar Surface Area: 79 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 563.5±5.0 cm3

Click to predict properties on the Chemicalize site


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