Cas no 68090-55-1 ((6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate)

(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure
68090-55-1 structure
Product Name:(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No:68090-55-1
MF:C10H12N2O5S
MW:272.277681350708
CID:511717
PubChem ID:13729
Update Time:2025-04-19

(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • 3-ACETOXYMETHYL-7-AMINO-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
    • 3-ACETOXYMETHYL-7-AMINO-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID HCL
    • 3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0 ]oct-2-ene-2-carboxylic acid
    • 3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2ene-2carboxylic acid
    • 3-[(acetyloxy)methyl] -7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylic acid
    • 3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2carboxylic acid
    • 3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 3-[(acetyloxy)-methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-(acetoxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • 3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid
    • 68090-55-1
    • SR-01000317524
    • 108260-00-0
    • EN300-296214
    • SY012906
    • 3[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • AKOS000300349
    • DTXSID20859557
    • 3-acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bicyclo[
    • 3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1 -azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • AKOS022060452
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R-trans)-
    • SB67304
    • CHEMBL1161449
    • SR-01000317524-2
    • FT-0621351
    • PD014029
    • (7R,7aR)-3-(acetyloxymethyl)-7-amino-6-oxo-2H,7H-azetidino[2,1-b]1,3-thiazine- 4-carboxylic acid
    • SCHEMBL7514855
    • AS-44373
    • 3-acetyloxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 3-acetyloxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2carboxylic acid
    • 3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid #
    • 3-[(acetyloxy)-methyl]-7-amino-8-oxo-5-thia-1azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Inchi： 1S/C10H12N2O5S/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)
    • InChI Key： HSHGZXNAXBPPDL-UHFFFAOYSA-N
    • SMILES： S1CC(COC(C)=O)=C(C(=O)O)N2C(C(C12)N)=O

Computed Properties

  • Exact Mass: 272.04676
  • Monoisotopic Mass: 272.04669266g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 461
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4
  • Topological Polar Surface Area: 135?2

Experimental Properties

  • PSA: 114.38

(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Related Literature

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