ChemSpider 2D Image | (5Z,7E)-9,10-Secocholesta-5,7,10-triene | C27H44

(5Z,7E)-9,10-Secocholesta-5,7,10-triene

  • Molecular FormulaC27H44
  • Average mass368.638 Da
  • Monoisotopic mass368.344299 Da
  • ChemSpider ID24823364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z,7E)-9,10-Secocholesta-5,7,10-trien [German] [ACD/IUPAC Name]
(5Z,7E)-9,10-Secocholesta-5,7,10-triene [ACD/IUPAC Name]
(5Z,7E)-9,10-Sécocholesta-5,7,10-triène [French] [ACD/IUPAC Name]
1H-Indene, 1-(1,5-dimethylhexyl)octahydro-7a-methyl-4-[(2Z)-2-(2-methylenecyclohexylidene)ethylidene]-, (1R,3aS,4E,7aR)- [ACD/Index Name]
(5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3

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

Density: 0.9±0.1 g/cm3
Boiling Point: 463.3±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 69.7±0.8 kJ/mol
Flash Point: 228.8±14.4 °C
Index of Refraction: 1.512
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 11.59
ACD/LogD (pH 5.5): 9.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5362376.00
ACD/LogD (pH 7.4): 9.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5362376.00
Polar Surface Area: 0 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 34.1±5.0 dyne/cm
Molar Volume: 399.0±5.0 cm3

Click to predict properties on the Chemicalize site


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