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19026-22-3

19026-22-3 | D-Gluconic acid, 2-(acetylamino)-2-deoxy-, δ-lactone

CAS No: 19026-22-3 Catalog No: AG002EFP MDL No:

Product Description

Catalog Number:
AG002EFP
Chemical Name:
D-Gluconic acid, 2-(acetylamino)-2-deoxy-, δ-lactone
CAS Number:
19026-22-3
Molecular Formula:
C29H39N3O2
Molecular Weight:
461.6389
IUPAC Name:
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide
InChI:
InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1
InChI Key:
NELQYZRSPDCGRQ-DBRKOABJSA-N
SMILES:
C=CC(c1[nH]c2c(c1C[C@@H]1NC(=O)[C@@H](NC1=O)C)cc(cc2CC=C(C)C)CC=C(C)C)(C)C
EC Number:
242-761-3

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
219.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
219.193g/mol
Monoisotopic Mass:
219.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  

Literature

Title Journal
Human OGA binds substrates in a conserved peptide recognition groove. The Biochemical journal 20101115
Sperm N-acetylglucosaminidase is involved in primary binding to the zona pellucida. Molecular human reproduction 20060901
The X-ray crystal structure of human beta-hexosaminidase B provides new insights into Sandhoff disease. Journal of molecular biology 20030502

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