ChemSpider 2D Image | (3S,5Z,7E,17xi)-9,10-Secocholesta-5,7,10-trien-3-ol | C27H44O

(3S,5Z,7E,17ξ)-9,10-Secocholesta-5,7,10-trien-3-ol

  • Molecular FormulaC27H44O
  • Average mass384.638 Da
  • Monoisotopic mass384.339203 Da
  • ChemSpider ID23129981
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(3S,5Z,7E,17ξ)-9,10-Secocholesta-5,7,10-trien-3-ol [ACD/IUPAC Name]
(3S,5Z,7E,17ξ)-9,10-Secocholesta-5,7,10-trien-3-ol [German] [ACD/IUPAC Name]
(3S,5Z,7E,17ξ)-9,10-Sécocholesta-5,7,10-trién-3-ol [French] [ACD/IUPAC Name]
Cyclohexanol, 3-[(2E)-2-[(3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)- [ACD/Index Name]
(S)-3-[2-[(3aS,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexanol
67-97-0 [RN]
colecalciferol [BAN] [INN]
Vitamin D3
Vitamin D3;Colecalciferol
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cholecalciferol(Vitamin D3) is a naturally occuring form of vitamin D; Reported that upon metabolic activation, Cholecalciferol induces cell differentiation and prevents proliferation of cancer cells. MedChem Express http://www.medchemexpress.com/sb-269970.html, HY-15398
      Cholecalciferol(Vitamin D3) is a naturally occuring form of vitamin D; Reported that upon metabolic activation, Cholecalciferol induces cell differentiation and prevents proliferation of cancer cells. ;IC50 value:;Target: Vitamin D acts through a receptor that is a member of the ligand-dependent transcription factor superfamily. Modulates the proliferation and differentiation of both normal and cancer cells. Has antiproliferative and antimetastatic effects on breast, colon, and prostate cancer cells. Activated vitamin D receptors in intestine and bone maintain calcium absorbance and homeostasis. MedChem Express HY-15398
      VD/VDR MedChem Express HY-15398
      Vitamin D Related MedChem Express HY-15398
      Vitamin D Related; MedChem Express HY-15398

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

Density: 1.0±0.1 g/cm3
Boiling Point: 496.4±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 214.2±15.1 °C
Index of Refraction: 1.523
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: 9.72
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1216243.50
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1216243.50
Polar Surface Area: 20 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 396.9±5.0 cm3

Click to predict properties on the Chemicalize site






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