25-Azavitamin D3
Basic information
- CAS
63819-61-4- Standard SMILES
C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCN(C)C)CC[C@@H]12- InChIKey
ULNCGRJUZSDCCI-SHLFXTCDSA-N- Molecular formula
- C26H43NO
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.334465
Overview
25-azavitamin D3 is a vitamin D.
Names & identifiers
- Preferred name
- 25-Azavitamin D3
- IUPAC
- (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-(dimethylamino)pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Names & synonyms
25-Azavitamin D363819-61-49,10-Secochola-5,7,10(19)-trien-3-ol, 24-(dimethylamino)-, (3beta,5Z,7E)-RefChem:89869(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-(dimethylamino)pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-olCHEBI:191263
Database identifiers
- CAS
63819-61-4- PubChem CID
- 6443591
- ChEBI
CHEBI:191263
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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