Cas no 26919-59-5 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,7R)- (9CI))
![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,7R)- (9CI) structure](https://ossimg.kuujia.com/scimg/27000/26919-59-5x500.png)
26919-59-5 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,7R)- (9CI)
CAS No:26919-59-5
MF:C19H20N2O6S2
MW:436.501902580261
CID:268726
PubChem ID:168627
Update Time:2025-04-19
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,7R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,7R)- (9CI)
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,
- DTXSID60181420
- Cephalosporin 7/1
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((((phenylmethyl)thio)acetyl)amino)-, (6R-trans)-
- 26919-59-5
-
- Inchi： 1S/C19H20N2O6S2/c1-11(22)27-7-13-9-29-18-15(17(24)21(18)16(13)19(25)26)20-14(23)10-28-8-12-5-3-2-4-6-12/h2-6,15,18H,7-10H2,1H3,(H,20,23)(H,25,26)/t15-,18-/m1/s1
- InChI Key： SRTZNSJXPVHBRN-CRAIPNDOSA-N
- SMILES： S1CC(COC(C)=O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(CSCC1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 436.0764
- Monoisotopic Mass: 436.076278
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 9
- Complexity: 720
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 164
Experimental Properties
- Density: 1.49
- Boiling Point: 754°Cat760mmHg
- Flash Point: 409.8°C
- Refractive Index: 1.672
- PSA: 113.01
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[[(phenylmethyl)thio]acetyl]amino]-,(6R,7R)- (9CI) Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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