Cas no 55779-10-7 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)-)
![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)- structure](https://ossimg.kuujia.com/scimg/56000/55779-10-7x500.png)
55779-10-7 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)-
CAS No:55779-10-7
MF:C13H16N2O7S
MW:344.340342521667
CID:370200
PubChem ID:6453255
Update Time:2025-04-19
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)-
- (6R,7R)-7-(4-carboxybutanoylamino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- desacetyl glutaryl 7-aminocephalosporanic acid
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((4-carboxy-1-oxobutyl)amino)-3-(hydroxymethyl)-8-oxo-, (6R-trans)-
- desacetyl glutaryl 7ACA
- SCHEMBL7034181
- GRQXHIBWEUNUHL-BXKDBHETSA-N
- D-7-Aca
- 55779-10-7
- Desacetyl glutaryl 7-aca
- DTXSID30204337
-
- Inchi： 1S/C13H16N2O7S/c16-4-6-5-23-12-9(11(20)15(12)10(6)13(21)22)14-7(17)2-1-3-8(18)19/h9,12,16H,1-5H2,(H,14,17)(H,18,19)(H,21,22)/t9-,12-/m1/s1
- InChI Key： GRQXHIBWEUNUHL-BXKDBHETSA-N
- SMILES： S1CC(CO)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(CCCC(=O)O)=O)=O
Computed Properties
- Exact Mass: 344.06788
- Monoisotopic Mass: 344.067822
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 589
- 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: _2.3
- Topological Polar Surface Area: 170
Experimental Properties
- Density: 1.65
- Boiling Point: 862.4°C at 760 mmHg
- Flash Point: 475.4°C
- Refractive Index: 1.673
- PSA: 144.24
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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