Basic information
- CAS
1151540-28-1- Standard SMILES
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1- InChIKey
GPRBEKHLDVQUJE-CPAGPLPBSA-N- Molecular formula
- C16H17N5O7S2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.05694025
Names & identifiers
- Preferred name
- S-(-)-Cefotaxime
- IUPAC
- (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
S-(-)-CefotaximeSCHEMBL9395572DTXSID9013165981151540-28-1(6S,7S)-3-(acetoxymethyl)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6S,7S)-3-[(Acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
1151540-28-1- PubChem CID
- 6540461
- DTXSID
DTXSID901316598
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 833
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…