ChemSpider 2D Image | (3beta,8xi,9xi,14xi,17xi,20xi)-Cholest-5-en-3-yl heptanoate | C34H58O2

(3β,8ξ,9ξ,14ξ,17ξ,20ξ)-Cholest-5-en-3-yl heptanoate

  • Molecular FormulaC34H58O2
  • Average mass498.823 Da
  • Monoisotopic mass498.443695 Da
  • ChemSpider ID24751246

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,17ξ,20ξ)-Cholest-5-en-3-yl heptanoate [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,17ξ,20ξ)-Cholest-5-en-3-yl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de (3β,8ξ,9ξ,14ξ,17ξ,20ξ)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Heptanoic acid, (3β,8ξ,9ξ,14ξ,17ξ,20ξ)-cholest-5-en-3-yl ester [ACD/Index Name]
(5S,2R,15R)-14-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,1 5>]heptadec-7-en-5-yl heptanoate
(5S,2R,15R)-14-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl heptanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 553.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 286.5±11.8 °C
Index of Refraction: 1.511
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 13.36
ACD/LogD (pH 5.5): 11.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 37.6±5.0 dyne/cm
Molar Volume: 509.7±5.0 cm3

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