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132152-76-2 | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-hydroxy-, δ-lactone
CAS No: 132152-76-2 Catalog No: AG0010AW MDL No:
Product Description
Catalog Number:
AG0010AW
Chemical Name:
D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-hydroxy-, δ-lactone
CAS Number:
132152-76-2
Molecular Formula:
C8H14N2O6
Molecular Weight:
234.2066
IUPAC Name:
N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-2-hydroxyimino-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1
InChI Key:
NJBKCLCEXIDHDR-OANDGCGGSA-N
SMILES:
OCC1OC(=NO)C(C([C@@H]1O)O)NC(=O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
234.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
234.208g/mol
Monoisotopic Mass:
234.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Inhibition of a bacterial O-GlcNAcase homologue by lactone and lactam derivatives: structural, kinetic and thermodynamic analyses. | Amino acids 20110301 |
| Small molecule inhibitors of a glycoside hydrolase attenuate inducible AmpC-mediated beta-lactam resistance. | The Journal of biological chemistry 20070720 |
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