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145283-61-0 | 5-Oxazolidinecarboxylic acid, 4-methyl-2-oxo-, (4R-trans)- (9CI)
CAS No: 145283-61-0 Catalog No: AG001KQS MDL No:
Product Description
Catalog Number:
AG001KQS
Chemical Name:
5-Oxazolidinecarboxylic acid, 4-methyl-2-oxo-, (4R-trans)- (9CI)
CAS Number:
145283-61-0
Molecular Formula:
C5H7NO4
Molecular Weight:
145.1134
IUPAC Name:
(4R,5S)-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
InChI:
InChI=1S/C5H7NO4/c1-2-3(4(7)8)10-5(9)6-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3+/m1/s1
InChI Key:
HLEWENVVLNOPPW-GBXIJSLDSA-N
SMILES:
O=C1N[C@@H]([C@H](O1)C(=O)O)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Development of new calcium receptors based on oxazolidin-2-ones containing pseudopeptides. | Organic & biomolecular chemistry 20050421 |
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