25-OH-Vitamin D3
(1S,3Z)-3-[2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular Identity
25-OH-Vitamin D3
(1S,3Z)-3-[2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
PubChem CID: 88810851
2D Structure
Properties
C27H44O2
Molecular Formula
400.60
Molecular Weight
g/mol
400.3341
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
655
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CIsomeric SMILES
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1(CCCC2=C/C=C\3/C[C@H](CCC3=C)O)CSynonyms(3)
25-OH-Vitamin D3SCHEMBL263480H10456
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 25-OH-Vitamin D3
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