cephalosporin C

(6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 61-24-5

Molecular Formula	`C16H21N3O8S`
Molecular Weight	415.4 g/mol
LogP	-4.4
Topological Polar Surface Area	202.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	415.10495
Heavy Atoms	28
Complexity	737.0

Chemical Identifiers

CAS Number	61-24-5
SMILES	`CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O`
InChIKey	`HOKIDJSKDBPKTQ-GLXFQSAKSA-N`

📖 Product Overview

cephalosporin C (CAS: 61-24-5) is a chemical compound with molecular formula C16H21N3O8S and molecular weight 415.4 g/mol. Its IUPAC systematic name is (6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -4.4 Topological Polar Surface Area 202.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 10 Exact Mass 415.10495 Heavy Atoms 28 Complexity 737.0 InChI Key: HOKIDJSKDBPKTQ-GLXFQSAKSA-N. SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O.

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