2-Chloro-4-nitrophenyl-N-acetylglucosaminide

CAS	103614-82-0
Structure
Synonyms	2-Chloro-4-nitrophenyl-N-acetyl-beta-D-glucosaminide
IUPAC Name	N-[(2S,3R,4R,5S,6R)-2-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular Weight	376.75
Molecular Formula	C14H17ClN2O8
Canonical SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CO)O)O
InChI	InChI=1S/C14H17ClN2O8/c1-6(19)16-11-13(21)12(20)10(5-18)25-14(11)24-9-3-2-7(17(22)23)4-8(9)15/h2-4,10-14,18,20-21H,5H2,1H3,(H,16,19)/t10-,11-,12-,13-,14-/m1/s1
InChI Key	UBBCYDPSFMEFFL-DHGKCCLASA-N
Boiling Point	700.8±60.0 °C
Melting Point	164-167 °C
Purity	98%
Density	1.58 g/ml
pKa	12.77±0.70
Appearance	Off-white to pale grey solid