ChemSpider 2D Image | (3S,5Z,7E,23S,25R)-23,26-Epoxy-9,10-secocholesta-5,7,10-triene-3,25,26-triol | C27H42O4

(3S,5Z,7E,23S,25R)-23,26-Epoxy-9,10-secocholesta-5,7,10-triene-3,25,26-triol

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID24823343

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3S,5Z,7E,23S,25R)-23,26-Epoxy-9,10-secocholesta-5,7,10-trien-3,25,26-triol [German] [ACD/IUPAC Name]
(3S,5Z,7E,23S,25R)-23,26-Epoxy-9,10-secocholesta-5,7,10-triene-3,25,26-triol [ACD/IUPAC Name]
(3S,5Z,7E,23S,25R)-23,26-Époxy-9,10-sécocholesta-5,7,10-triène-3,25,26-triol [French] [ACD/IUPAC Name]
2,3-Furandiol, tetrahydro-3-methyl-5-[2-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]propyl]-, (3R,5S)- [ACD/Index 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: 580.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 304.7±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3920.68
ACD/KOC (pH 5.5): 12993.37
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3920.66
ACD/KOC (pH 7.4): 12993.30
Polar Surface Area: 70 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

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