Palustrine
Basic information
- CAS
22324-44-3- Standard SMILES
CC[C@H](O)[C@@H]1CC=C[C@@H]2CC(=O)NCCCCNCCCN21- InChIKey
YBZUGUWOQLUNKD-PMPSAXMXSA-N- Molecular formula
- C17H31N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.24162724
Overview
Palustrine is a lactam and an azamacrocycle.
Names & identifiers
- Preferred name
- Palustrine
- IUPAC
- (13S,17S)-17-[(1S)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
Names & synonyms
Palustrine(13S,17S)-17-[(1S)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one(13S,17S)-17-((1S)-1-hydroxypropyl)-1,5,10-triazabicyclo(11.4.0)heptadec-14-en-11-oneRefChem:16978422324-44-3C10608AC1L9DJHCHEBI:7902DTXSID20944972NS00094142Q27107609(13S,16aS)-13-[(1S)-1-Hydroxypropyl]-1,4,5,6,7,8,9,10,11,13,14,16a-dodecahydropyrido[2,1-d][1,5,9]triazacyclotridecin-2-ol
Show more names
13-(1-Hydroxypropyl)-1,4,5,6,7,8,9,10,11,13,14,16a-dodecahydropyrido[2,1-d][1,5,9]triazacyclotridecin-2-ol
Database identifiers
- CAS
22324-44-3- PubChem CID
- 442867
- DTXSID
DTXSID20944972- ChEBI
CHEBI:7902
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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