O-(2-Acetamido-2-deoxy-D-glucopyranosylidenamino) N-phenylcarbamate

CAS	132489-69-1
Structure
Synonyms	O-(2-Acetamido-2-deoxy-D-glucopyranosylidenamino) N-phenylcarbamate
IUPAC Name	[(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
Molecular Weight	353.33
Molecular Formula	C15H19N3O7
Canonical SMILES	CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)NC2=CC=CC=C2)CO)O)O
InChI	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
InChI Key	PBLNJFVQMUMOJY-JXZOILRNSA-N
Melting Point	172-175 °C
Purity	98%
Density	1.53 g/ml
pKa	11.85±0.70
Appearance	White solid