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  2. 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, monosodiumsalt, (6R,7R)-

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, monosodiumsalt, (6R,7R)-

CC(=O)OCC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1.[Na+] Request for Quotation
Chemical Name: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, monosodiumsalt, (6R,7R)-
CAS Number: 58-71-9
Product Number: AG00IABG(AGN-PC-0SQHEO)
Synonyms:
MDL No:
Molecular Formula: C16H15N2NaO6S2
Molecular Weight: 418.4199

Identification/Properties

Properties
MP:
240°C
BP:
757.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
H2O: 50 mg/mL, clear, faintly yellow
Computed Properties
Molecular Weight:
418.414g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
418.027g/mol
Monoisotopic Mass:
418.027g/mol
Topological Polar Surface Area:
169A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
686
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H317-H334
Precautionary Statements:
P261-P280-P342+P311
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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