2-Nitrophenyl n-acetyl-α-d-galactosaminide

CAS	23646-67-5
Structure
Synonyms	GalNAc-α-ONP
IUPAC Name	N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-yl]acetamide
Molecular Weight	342.3
Molecular Formula	C14H18N2O8
Canonical SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=CC=C2[N+](=O)[O-])CO)O)O
InChI	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14+/m1/s1
InChI Key	PXMQUEGJJUADKD-RGDJUOJXSA-N
Boiling Point	685.2±55.0 °C
Melting Point	107-109 °C
Purity	98%
Density	1.51±0.1 g/ml
pKa	12.84±0.70
Appearance	Solid