Sulfothreonine
Basic information
- CAS
644-44-0- Standard SMILES
C[C@@H](OS(=O)(=O)O)[C@H](N)C(=O)O- InChIKey
SJSQTARGNAQQKY-GBXIJSLDSA-N- Molecular formula
- C4H9NO6S
- Average molar mass
- 199.18 g/mol
- Monoisotopic mass
- 199.01505818
Names & identifiers
- Preferred name
- Sulfothreonine
- IUPAC
- (2S,3R)-2-amino-3-sulfooxybutanoic acid
Names & synonyms
sulfothreonineL-Threonine, O-sulfo-Threonine O-sulfate esterXH68ZW31KBUNII-XH68ZW31KB644-44-0L-Threonine, hydrogen sulfate (ester)RefChem:203169threonine-O-sulphateSCHEMBL245925
Database identifiers
- CAS
644-44-0- PubChem CID
- 10241863
- UNII
- XH68ZW31KB
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…