Cas no 127431-38-3 ((6S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)
![(6S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://ossimg.kuujia.com/scimg/127500/127431-38-3x500.png)
127431-38-3 structure
Product Name:(6S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS No:127431-38-3
MF:C8H10N2O3S
MW:214.241600513458
CID:103160
Update Time:2023-08-02
(6S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-, 4-methoxyphenyl ester,(6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-(chloromethyl)-8-oxo-7-[(2-phenylacety...
- 7-ADCA
- GCLE
- 7-amino-3-methyl-3-cephem-4-carboxylic acid
- (6S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
-
- Inchi： 1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4?,7-/m0/s1
- InChI Key： NVIAYEIXYQCDAN-DRGSQQHPSA-N
- SMILES： S1CC(C)=C(C(=O)O)N2C(C([C@H]12)N)=O
Computed Properties
- Exact Mass: 214.041
- Monoisotopic Mass: 214.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 353
- 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: -3.1
- Topological Polar Surface Area: 109
Experimental Properties
- Density: 1.59
- Boiling Point: 517.6°Cat760mmHg
- Flash Point: 266.8°C
- Refractive Index: 1.697
- PSA: 108.93000
- LogP: 0.22560
(6S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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