(6R-(6alpha,7beta))-7-((Formyloxy)phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Base Information

• Chemical Name: (6R-(6alpha,7beta))-7-((Formyloxy)phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
• CAS No.: 68779-03-3
• Molecular Formula: C19H18N6O6S2
• Molecular Weight: 490.51282
• European Community (EC) Number: 272-169-0
• DSSTox Substance ID: DTXSID101099982
• Nikkaji Number: J332.632B
• Mol file: 68779-03-3.mol

Synonyms:EINECS 272-169-0;68779-03-3;(6R-(6alpha,7beta))-7-((Formyloxy)phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;C19-H18-N6-O6-S2;[6R-(6alpha,7beta)]-7-[(formyloxy)phenylacetamido]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;DTXSID101099982;PDSP1_001577;PDSP2_001561;(6R,6beta)-7alpha-[[(Formyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(formyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-(6alpha,7beta)]-

Chemical Property of (6R-(6alpha,7beta))-7-((Formyloxy)phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Chemical Property:

• PSA: 207.21000
• LogP: 0.91980
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 490.07292466
• Heavy Atom Count: 33
• Complexity: 838

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)O
• Isomeric SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)O