Basic information
- CAS
10209-10-6- Standard SMILES
CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1- InChIKey
AUNFRQANODILJJ-UFHPHHKVSA-N- Molecular formula
- C29H26N2O5S
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.15624311
Names & identifiers
- Preferred name
- benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- English name
- diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Molecular formula
- C29H26N2O5S
- Molecular weight
- 514.59
Names & synonyms
10209-10-6EINECS 233-510-9benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL11001684DTXSID00907080Diphenylmethyl 3-methyl-7beta-phenoxyacetamidoceph-3-em-4-carboxylate(6R,7R) 3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmethyl Ester(6R,7R) 3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmetyl Ester(6R,7R)3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmethyl Ester5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-, diphenylmethyl ester, (6R,7R)-Diphenylmethyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateDiphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
Show more names
diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(6R)-3-Methyl-8-oxo-7α-(phenyloxyacetylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester(6β)-3-Methyl-7α-[(phenoxyacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid diphenylmethyl ester
N-{(6R,7R)-2-[(Diphenylmethoxy)carbonyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}(phenoxy)ethanimidic acidN-{2-[(Diphenylmethoxy)carbonyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}-2-phenoxyethanimidic acid
Database identifiers
- CAS
10209-10-6- PubChem CID
- 112091
- DTXSID
DTXSID00907080- EC Number
- 233-510-9
- Nikkaji
- J227.109E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 856
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- Boiling point
- 773.9 · 773.9±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.60(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
9 records
Compound notes
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