Basic information
- CAS
56222-80-1- Standard SMILES
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](CO)C(=O)O)c(O)c2C(=O)O1- InChIKey
NZSINNOZGVDSIC-ANLVUFKYSA-N- Molecular formula
- C14H14ClNO7
- Average molar mass
- 343.71 g/mol
- Monoisotopic mass
- 343.0458795
Names & identifiers
- Preferred name
- N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)serine
- IUPAC
- (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-hydroxypropanoic acid
Names & synonyms
56222-80-1N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)serineSerine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-SCHEMBL28965818DTXSID20971647N-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]serineN-{[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl](hydroxy)methylidene}-L-serine
Database identifiers
- CAS
56222-80-1- PubChem CID
- 198345
- DTXSID
DTXSID20971647
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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