25,26-dihydroxycholecalciferol

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

RN given refers to (3beta,5A,7E)-isomer

[edit] General Properties

*Molecular Weight

416.64

*Molecular Formula

C₂₇H₄₄O₃

*IUPAC NAME

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

*Canonical Smiles

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

*Isomeric Smiles

CC(CCCC(C)(CO)O)C1CCC2C1(CCC/C2=CC=C3/CC(CCC3=C)O)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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