ChemSpider 2D Image | Dimethyl (1alpha,3beta,9beta)-1,3-dihydroxy-24-oxo-9,19-cyclolanost-25-ene-21,28-dioate | C32H48O7

Dimethyl (1α,3β,9β)-1,3-dihydroxy-24-oxo-9,19-cyclolanost-25-ene-21,28-dioate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID8896595

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1α,3β,9β)-1,3-Dihydroxy-24-oxo-9,19-cyclolanost-25-ène-21,28-dioate de diméthyle [French] [ACD/IUPAC Name]
9,19-Cyclolanost-25-ene-21,28-dioic acid, 1,3-dihydroxy-24-oxo-, dimethyl ester, (1α,3β,9β)- [ACD/Index Name]
Dimethyl (1α,3β,9β)-1,3-dihydroxy-24-oxo-9,19-cyclolanost-25-ene-21,28-dioate [ACD/IUPAC Name]
Dimethyl-(1α,3β,9β)-1,3-dihydroxy-24-oxo-9,19-cyclolanost-25-en-21,28-dioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 645.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 199.8±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2659.71
ACD/KOC (pH 5.5): 9842.20
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2659.71
ACD/KOC (pH 7.4): 9842.20
Polar Surface Area: 110 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 455.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement