Basic information
- CAS
56222-75-4- Standard SMILES
CC1Cc2c(Cl)cc(C(=O)N3CC(O)CC3C(=O)O)c(O)c2C(=O)O1- InChIKey
VPUOSNFFNFXMBN-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO7
- Average molar mass
- 369.75 g/mol
- Monoisotopic mass
- 369.0615295
Names & identifiers
- Preferred name
- 1-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyproline
- IUPAC
- 1-(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
Names & synonyms
56222-75-41-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxyprolineProline, 1-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-4-hydroxy-SCHEMBL28965858SCHEMBL29619844DTXSID409716441-(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)-4-hydroxyproline
Database identifiers
- CAS
56222-75-4- PubChem CID
- 3043856
- DTXSID
DTXSID40971644- Nikkaji
- J534.963J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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