alfacalcidol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 87
Total Number of Articles : 122
PubChem 163285106
Molecular Formula

C27H44O2

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3=C)O)O)C

InChI

InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12?/t19-,23-,24-,25+,26+,27-/m1/s1

synonyms
  • alfacalcidol
  • 41294-56-8
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Properties
Property Value
MW 400.6 g/mol
HBD 2
HBA 2
Rotatable Bond Count 6
Exact Mass 400.334130642 g/mol
Monoisotopic Mass 400.334130642 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 643
xlogp 6.8
Topological Polar Surface Area 40.5