ChemSpider 2D Image | (3beta,5xi,9xi,13xi,17xi,18xi)-19,28-Epoxyoleanan-3-yl methyl adipate | C37H60O5

(3β,5ξ,9ξ,13ξ,17ξ,18ξ)-19,28-Epoxyoleanan-3-yl methyl adipate

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID8320512

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,13ξ,17ξ,18ξ)-19,28-Epoxyoleanan-3-yl methyl adipate [ACD/IUPAC Name]
(3β,5ξ,9ξ,13ξ,17ξ,18ξ)-19,28-Epoxyoleanan-3-yl-methyladipat [German] [ACD/IUPAC Name]
Adipate de (3β,5ξ,9ξ,13ξ,17ξ,18ξ)-19,28-époxyoléanan-3-yle et de méthyle [French] [ACD/IUPAC Name]
Hexanedioic acid, (3β,5ξ,9ξ,13ξ,17ξ,18ξ)-19,28-epoxyoleanan-3-yl methyl ester [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: 607.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 246.6±23.2 °C
Index of Refraction: 1.533
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.67
ACD/LogD (pH 5.5): 9.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5529802.50
ACD/LogD (pH 7.4): 9.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5529802.50
Polar Surface Area: 62 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 536.8±5.0 cm3

Click to predict properties on the Chemicalize site


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