ChemSpider 2D Image | (5Z,7E)-15-Methoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol | C28H46O4

(5Z,7E)-15-Methoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol

  • Molecular FormulaC28H46O4
  • Average mass446.662 Da
  • Monoisotopic mass446.339600 Da
  • ChemSpider ID26326732

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-3-Methoxy-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1h-Inden-4-Ylidene]ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
(5Z,7E)-15-Methoxy-9,10-secocholesta-5,7,10-trien-1,3,25-triol [German] [ACD/IUPAC Name]
(5Z,7E)-15-Methoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol [ACD/IUPAC Name]
(5Z,7E)-15-Méthoxy-9,10-sécocholesta-5,7,10-triène-1,3,25-triol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[octahydro-1-(5-hydroxy-1,5-dimethylhexyl)-3-methoxy-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (5Z)- [ACD/Index Name]
EIM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 306.6±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3800.58
ACD/KOC (pH 5.5): 12707.21
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3800.58
ACD/KOC (pH 7.4): 12707.21
Polar Surface Area: 70 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 414.6±5.0 cm3

Click to predict properties on the Chemicalize site


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