ChemSpider 2D Image | Methyl (1alpha,3beta,7beta,9beta)-1,3,7-triacetoxy-24-methylene-9,19-cyclolanostan-28-oate | C38H58O8

Methyl (1α,3β,7β,9β)-1,3,7-triacetoxy-24-methylene-9,19-cyclolanostan-28-oate

  • Molecular FormulaC38H58O8
  • Average mass642.862 Da
  • Monoisotopic mass642.413147 Da
  • ChemSpider ID8922063

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1α,3β,7β,9β)-1,3,7-Triacétoxy-24-méthylène-9,19-cyclolanostan-28-oate de méthyle [French] [ACD/IUPAC Name]
9,19-Cyclolanostan-28-oic acid, 1,3,7-tris(acetyloxy)-24-methylene-, methyl ester, (1α,3β,7β,9β)- [ACD/Index Name]
Methyl (1α,3β,7β,9β)-1,3,7-triacetoxy-24-methylene-9,19-cyclolanostan-28-oate [ACD/IUPAC Name]
Methyl-(1α,3β,7β,9β)-1,3,7-triacetoxy-24-methylen-9,19-cyclolanostan-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: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 256.7±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.04
ACD/LogD (pH 5.5): 8.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 798879.13
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 798879.13
Polar Surface Area: 105 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 566.9±5.0 cm3

Click to predict properties on the Chemicalize site


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