(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2c42d374a7294301aa6ea5389d01196e.png "(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
85416-37-1
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Formula:
C14H18N2O8S
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Chemical Name:
(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
7 beta-(5-hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid;7-HCHCC;85416-37-1;7-Hchcc;7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid;DTXSID401005928;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-carboxy-5-hydroxy-1-oxopentyl)amino)-3-(hydroxymethyl)-8-oxo-, (6R-(6alpha,7beta))-;7-[(5-Carboxy-1,5-dihydroxypentylidene)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
374.37 g/mol
374.07838671 g/mol
Computed Properties
Molecular Weight:374.37
XLogP3:-2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:374.07838671
Monoisotopic Mass:374.07838671
Topological Polar Surface Area:190
Heavy Atom Count:25
Complexity:634
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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