Pyridinium,4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-phenylsulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt,monosodium salt


Chemical Name: Pyridinium,4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-phenylsulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt,monosodium salt
CAS Number: 52152-93-9
Product Number: AG003OQF(AGN-PC-0SC96U)
Synonyms:
MDL No:
Molecular Formula: C22H19N4NaO8S2
Molecular Weight: 554.5280

Identification/Properties


Properties
MP:
>171°C (dec.)
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
554.524g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
6
Exact Mass:
554.054g/mol
Monoisotopic Mass:
554.054g/mol
Topological Polar Surface Area:
227A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
1040
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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:
Warning
UN#:
-
Hazard Statements:
H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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