Basic information
- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](NCCCCNCCCN)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
GBXABOGVYLCLLO-QQFOGAIFSA-N- Molecular formula
- C34H65N3O2
- Average molar mass
- 547.9 g/mol
Names & identifiers
- Preferred name
- 5alpha-Hydroxy-6beta-[4-(3-aminopropylamino)-butylamino]-cholestan-3beta-ol
- IUPAC
- (3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-[4-(3-aminopropylamino)butylamino]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
Names & synonyms
CHEMBL569160SCHEMBL16163772GBXABOGVYLCLLO-QQFOGAIFSA-N5alpha-Hydroxy-6beta-[4-(3-aminopropylamino)-butylamino]-cholestan-3beta-ol
Database identifiers
- PubChem CID
- 44598471
- ChEMBL
CHEMBL569160
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 763
Related reactions
1 records
Compound notes
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