23,25-dihydroxyvitamin D3

From DrugPedia: A Wikipedia for Drug discovery

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

[edit] Description

Show 3-D Structure

metabolite of vitamin D3 in chickens and rats; RN given refers to (3beta,5Z,7E)-isomer

[edit] General Properties

*Molecular Weight

416.64

*Molecular Formula

C₂₇H₄₄O₃

*IUPAC NAME

(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,4-diol

*Canonical Smiles

CC(CC(CC(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

*Isomeric Smiles

C[C@H](CC(CC(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@@H](CCC3=C)O)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]Human Metabolome DataBase