5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium,6-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-6,7-dihydro-, inner salt|120410-24-4,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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)-

5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium,6-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-6,7-dihydro-, inner salt

C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O

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Chemical Name:	5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium,6-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-6,7-dihydro-, inner salt
CAS Number:	120410-24-4
Product Number:	AG0034IP(AGN-PC-0PEOBV)
Synonyms:
MDL No:
Molecular Formula:	C15H18N4O4S
Molecular Weight:	350.3928

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Properties

MP:

265-271°C (dec.)

Storage:

Keep in dry area;-10 ℃;

Form:

Solid

Solubility:

H2O: ≥5mg/mL (warmed)

Computed Properties

Molecular Weight:

350.393g/mol

XLogP3:

1.4

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

350.105g/mol

Monoisotopic Mass:

350.105g/mol

Topological Polar Surface Area:

128A^2

Heavy Atom Count:

Formal Charge:

Complexity:

609

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

Hazard Statements:

H302

Precautionary Statements:

P280-P305+P351+P338

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-6,7-dihydro-, inner salt can be utilized in chemical synthesis as a valuable intermediate in the production of various pharmaceutical compounds. Its unique structure and reactive functional groups make it a versatile building block for the synthesis of complex organic molecules. By incorporating this compound into synthetic pathways, chemists can access novel chemical structures with potential applications in drug discovery, materials science, and other research areas.