ChemSpider 2D Image | (3S,5Z,7E,14xi,17xi)-(23,24,25,26,27-~13~C_5_)-9,10-Secocholesta-5,7,10-triene-3,25-diol | C2213C5H44O2


  • Molecular FormulaC2213C5H44O2
  • Average mass405.600 Da
  • Monoisotopic mass405.350891 Da
  • ChemSpider ID48244829
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,5Z,7E,14ξ,17ξ)-(23,24,25,26,27-13C5)-9,10-Secocholesta-5,7,10-trien-3,25-diol [German] [ACD/IUPAC Name]
(3S,5Z,7E,14ξ,17ξ)-(23,24,25,26,27-13C5)-9,10-Secocholesta-5,7,10-triene-3,25-diol [ACD/IUPAC Name]
(3S,5Z,7E,14ξ,17ξ)-(23,24,25,26,27-13C5)-9,10-Sécocholesta-5,7,10-triène-3,25-diol [French] [ACD/IUPAC Name]
19356-17-3 [RN]
1H-Indene-1-pentanol-α,β,γ-13C3, octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-ε,7a-dimethyl-α,α-di(methyl-13C)-, (εR,4E,7aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.536
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

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