Cas no 40994-22-7 (sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate)
![sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure](https://ossimg.kuujia.com/scimg/41000/40994-22-7x500.png)
40994-22-7 structure
Product Name:sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No:40994-22-7
MF:C10H11N2NaO5S
MW:294.25951218605
CID:926445
PubChem ID:23664068
Update Time:2025-04-19
sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- CHEMBL444816
- 27795-22-8
- PVCIUMOLXPZFHR-SOWVLMPRSA-M
- SODIUM 3-[(ACETYLOXY)METHYL]-7-AMINO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
- EINECS 255-169-5
- 40994-22-7
- Sodium (6R-trans)-3-((acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
- DTXSID20950477
- EINECS 248-661-6
- Sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
-
- 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: 294.02863691g/mol
- 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
sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
40994-22-7 (sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate) Related Products
- 10206-21-0(Cefacetrile)
- 957-68-6(7-Aminocephalosporanic acid)
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- 15690-38-7(7-Amino-deacetylcephalosporanic Acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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