Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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![Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2234bcc452c04c9f8f8c35f5e325e3ee.png "Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate")
Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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CAS No:
54639-48-4
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Formula:
C28H24N2O5S
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Chemical Name:
Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-,diphenylmethyl ester,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-,diphenylmethyl ester,(6R-trans)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-,diphenylmethyl ester,(6R,7R)-;Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;7-Phenylacetamido-3-hydroxy-3-cephem-4-carboxylic acid diphenylmethyl ester;Benzhydryl (6R,7R)-7β-[(phenylacetyl)amino]-3-hydroxy-3-cephem-4-carboxylate
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CAS No:
Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Basic Attributes
500.566
500.57
611-177-4
DTXSID40716259
2941905990
Characteristics
121.24000
2.99
White or off-white crysalline powder
1.4±0.1 g/cm3
777.1±60.0 °C at 760 mmHg
423.8±32.9 °C
1.708
Safety Information
|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:500.6
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:500.14059304
Monoisotopic Mass:500.14059304
Topological Polar Surface Area:121
Heavy Atom Count:36
Complexity:840
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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