Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)O)cc1- InChIKey
VJAHSOIECXJUPQ-OIBJUYFYSA-N- Molecular formula
- C11H15NO6S
- Average molar mass
- 289.31 g/mol
Names & identifiers
- Preferred name
- N-[4-methoxybenzenesulfonyl]-(D)-threonine
- IUPAC
- (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
Names & synonyms
SCHEMBL7341651VJAHSOIECXJUPQ-OIBJUYFYSA-NN-[4-methoxybenzenesulfonyl]-(D)-threonine
Database identifiers
- PubChem CID
- 2104039
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
7 records
Compound notes
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