(2S)-1-[(2S,3R)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]azetidine-2-carboxylic acid
Basic information
- CAS
74281-81-5- Standard SMILES
O=C(O)[C@@H](O)CCN[C@@H](C(=O)O)[C@@H](O)CN1CC[C@H]1C(=O)O- InChIKey
GJRGEVKCJPPZIT-XSPKLOCKSA-N- Molecular formula
- C12H20N2O8
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.1219656
Names & identifiers
- Preferred name
- (2S)-1-[(2S,3R)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]azetidine-2-carboxylic acid
- IUPAC
- (2S)-1-[(2S,3R)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]azetidine-2-carboxylic acid
Names & synonyms
74281-81-5DTXSID5011160554-[(2S)-2-Carboxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-D-threonine(I+/-R,I(2)S,2S)-2-Carboxy-I+/--[[(3S)-3-carboxy-3-hydroxypropyl]amino]-I(2)-hydroxy-1-azetidinebutanoic acid
Database identifiers
- CAS
74281-81-5- PubChem CID
- 162968043
- DTXSID
DTXSID501116055
Properties
Computed structural properties
- XLogP
- -6.7
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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