(2R,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
Basic information
- CAS
104302-77-4- Standard SMILES
C[C@@H](OP(=O)(O)O)[C@@H](NC(=O)CCCCCCS)C(=O)O- InChIKey
JBJSVEVEEGOEBZ-PSASIEDQSA-N- Molecular formula
- C11H22NO7PS
- Average molar mass
- 343.34 g/mol
- Monoisotopic mass
- 343.08546021
Names & identifiers
- Preferred name
- (2R,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
- IUPAC
- (2R,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
Names & synonyms
SCHEMBL148909(2R,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acidO-Phosphono-N-(7-sulfanylheptanoyl)-D-allothreonine
Database identifiers
- CAS
104302-77-4- PubChem CID
- 5486800
- DTXSID
DTXSID70897000
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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