ChemSpider 2D Image | (5Z,7E)-9,10-Secocholesta-5,7,10-trien-25-ol | C27H44O

(5Z,7E)-9,10-Secocholesta-5,7,10-trien-25-ol

  • Molecular FormulaC27H44O
  • Average mass384.638 Da
  • Monoisotopic mass384.339203 Da
  • ChemSpider ID24823365

  • 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-25-ol [ACD/IUPAC Name]
(5Z,7E)-9,10-Secocholesta-5,7,10-trien-25-ol [German] [ACD/IUPAC Name]
(5Z,7E)-9,10-Sécocholesta-5,7,10-trién-25-ol [French] [ACD/IUPAC Name]
1H-Indene-1-pentanol, octahydro-α,α,ε,7a-tetramethyl-4-[(2Z)-2-(2-methylenecyclohexylidene)ethylidene]-, (1R,3aS,4E,7aR)- [ACD/Index Name]
(5Z,7E)-9,10-seco-5,7,10(19)-cholestatrien-25-ol
3-Deoxy-25-hydroxyvitamin D3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 495.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 149.5±16.4 °C
Index of Refraction: 1.525
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 841558.13
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 841558.13
Polar Surface Area: 20 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 396.1±5.0 cm3

Click to predict properties on the Chemicalize site


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