Cas no 27795-22-8 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, sodium salt, (6R-trans)- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, sodium salt, (6R-trans)- (9CI) structure
27795-22-8 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, sodium salt, (6R-trans)- (9CI)
CAS No:27795-22-8
MF:C10H11N2NaO5S
MW:294.25951218605
CID:289601
PubChem ID:23664068
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, sodium salt, (6R-trans)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, sodium salt, (6R-trans)- (9CI)
    • Sodium (6R-trans)-3-((acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
    • sodium (6S,7S)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • EINECS 248-661-6
    • SODIUM 3-[(ACETYLOXY)METHYL]-7-AMINO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
    • EINECS 255-169-5
    • 27795-22-8
    • DTXSID20950477
    • Sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
    • 40994-22-7
    • CHEMBL444816
    • Inchi： 1S/C10H12N2O5S.Na/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16;/h6,9H,2-3,11H2,1H3,(H,15,16);/q;+1/p-1/t6-,9-;/m1./s1
    • InChI Key： PVCIUMOLXPZFHR-SOWVLMPRSA-M
    • SMILES： S1CC(COC(C)=O)=C(C(=O)[O-])N2C([C@H]([C@@H]12)N)=O.[Na+]

Computed Properties

  • Exact Mass: 294.02873
  • Monoisotopic Mass: 294.02863691g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 467
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • PSA: 112.76

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, sodium salt, (6R-trans)- (9CI) Related Literature

27795-22-8 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, sodium salt, (6R-trans)- (9CI)) Related Products

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