Completing data — usually done within a minute
Basic information
- CAS
168569-15-1- Standard SMILES
COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl- InChIKey
ATKRDMWWPRZLSY-BJJCRNJMSA-N- Molecular formula
- C34H41ClN2O8
- Average molar mass
- 641.1 g/mol
- Monoisotopic mass
- 640.25514395
Overview
Cryptophycin 16 has been reported in Nostoc with data available.
Names & identifiers
- Preferred name
- Cryptophycin 21
- IUPAC
- (3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Names & synonyms
Cryptophycin 21CHEMBL502895SCHEMBL10048476ATKRDMWWPRZLSY-BJJCRNJMSA-NDTXSID401046568168569-15-1
Database identifiers
- CAS
168569-15-1- PubChem CID
- 10508360
- DTXSID
DTXSID401046568- ChEMBL
CHEMBL502895
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
6 records
Compound notes
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