94825-17-9 Purity
96%
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The molecular formula is C9H17NO6.
The synonym is N-[(3R,4R,5S,6R)-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-4-METHOXYOXAN-3-YL]ACETAMIDE.
The molecular weight is 235.23 g/mol.
The IUPAC name is N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide.
The InChI is InChI=1S/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9?/m1/s1.
The InChIKey is SXGSBXSSPNINRW-VARJHODCSA-N.
The canonical SMILES is CC(=O)NC1C(C(C(OC1O)CO)O)OC.
The XLogP3-AA value is -2.1.
D-Glucose,2-(acetylamino)-2-deoxy-3-O-methyl has 4 hydrogen bond donor counts.
D-Glucose,2-(acetylamino)-2-deoxy-3-O-methyl has 6 hydrogen bond acceptor counts.