Grundinformationen
- Standard-SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCCC(=O)C(=O)O)[C@H]2SC1- InChIKey
UKRMDFPJXIVYCZ-BXUZGUMPSA-N- Summenformel
- C16H18N2O9S
- Durchschnittliche Molmasse
- 414,4 g/mol
Überblick
(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid is a cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position. It is a conjugate acid of a (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-).
Namen und Bezeichner
- Bevorzugter Name
- (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
- IUPAC
- (6R,7R)-3-(acetyloxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Namen und Synonyme
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid(7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinic acid(6R,7R)-3-(acetoxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-(acetyloxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidC04712CHEBI:15838UKRMDFPJXIVYCZ-BXUZGUMPSA-N7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinateQ270982523-acetoxymethyl-7beta-(5-carboxy-5-oxopentanamido)-3-cephem-4-carboxylic acid
Datenbank-Bezeichner
- PubChem CID
- 440452
- ChEBI
CHEBI:15838- Nikkaji
- J431.585E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 193 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 776
Zugehörige Reaktionen
1
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