Penaresidin
Basic information
- CAS
135574-62-8- Standard SMILES
CC[C@@H](C)[C@H](O)CCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O- InChIKey
VVMSPNITCDMCDP-ICBNADEASA-N- Molecular formula
- C19H39NO3
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.29299411
Overview
Penaresidin A is a member of azetidines.
Names & identifiers
- Preferred name
- Penaresidin
- IUPAC
- (2S,3R,4S)-2-(hydroxymethyl)-4-[(11R,12R)-11-hydroxy-12-methyltetradecyl]azetidin-3-ol
Names & synonyms
Penaresidin135574-62-8(2S,3R,4S)-2-(hydroxymethyl)-4-[(11R,12R)-11-hydroxy-12-methyltetradecyl]azetidin-3-olDTXSID80159469(2S,3R,4S)-2-(hydroxymethyl)-4-((11R,12R)-11-hydroxy-12-methyltetradecyl)azetidin-3-olRefChem:170738DTXCID1081960Penaresidin APenaresidine A(+)-Penaresidine ASCHEMBL31436691CHEBI:178698
Show more names
(2S,3R,4S)-2-(Hydroxymethyl)-4-((11R,12R)-11-hydroxy-12-methyl-tetradecyl)azetidin-3-ol2-Azetidineundecanol, 3-hydroxy-4-(hydroxymethyl)-alpha-((1S)-1-methylpropyl)-, (alphaS,2S,3R,4S)-
Database identifiers
- CAS
135574-62-8- PubChem CID
- 178270
- DTXSID
DTXSID80159469- ChEBI
CHEBI:178698- Nikkaji
- J810.239B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 288
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Related reactions
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Compound notes
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