1,25-dihydroxyergocalciferol

From DrugPedia: A Wikipedia for Drug discovery

[edit] Description

Show 3-D Structure

RN given refers to (3beta,5Z,7E,22E)-isomer

[edit] General Properties

*Molecular Weight

428.65

*Molecular Formula

C₂₈H₄₄O₃

*IUPAC NAME

(1R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

*Canonical Smiles

CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

*Isomeric Smiles

C[C@H](C=C[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](CC(C3=C)O)O)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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