ChemSpider 2D Image | (3alpha,5beta,8xi,9xi,14xi,17xi,20xi)-24,24-Diphenylchol-23-ene-3,12-diyl diacetate | C40H52O4

(3α,5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24,24-Diphenylchol-23-ene-3,12-diyl diacetate

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID11968466

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(3α,5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24,24-Diphenylchol-23-en-3,12-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24,24-Diphenylchol-23-ene-3,12-diyl diacetate [ACD/IUPAC Name]
Chol-23-ene-3,12-diol, 24,24-diphenyl-, diacetate, (3α,5β,8ξ,9ξ,14ξ,17ξ,20ξ)- [ACD/Index Name]
Diacétate de (3α,5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24,24-diphénylchol-23-ène-3,12-diyle [French] [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: 648.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 315.1±26.9 °C
Index of Refraction: 1.575
Molar Refractivity: 176.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.59
ACD/LogD (pH 5.5): 10.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7028178.00
ACD/LogD (pH 7.4): 10.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7028178.00
Polar Surface Area: 53 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 533.0±5.0 cm3

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