Cholecalciferol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1030
Total Number of Articles : 1772
PubChem 117064495
Molecular Formula

C27H44O

SMILES

[2H]C(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)O)[2H]

InChI

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i3D2,13D

synonyms
  • Vitamin D3-d3
  • cholecalciferol
  • 80666-48-4
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Properties
Property Value
MW 387.7 g/mol
HBD 1
HBA 1
Rotatable Bond Count 6
Exact Mass 387.358046261 g/mol
Monoisotopic Mass 387.358046261 g/mol
Heavy Atom Count 28
Isotope Atom Count 3
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 610
xlogp 7.9
Topological Polar Surface Area 20.2