4-Nitrophenyl-n-acetyl-beta-D-galactosaminide

CAS	14948-96-0
Structure
Synonyms	GalNAc-beta-PNP
IUPAC Name	N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-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=C(C=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)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14-/m1/s1
InChI Key	OMRLTNCLYHKQCK-RKQHYHRCSA-N
Boiling Point	694.7±55.0 °C
Melting Point	181 °C
Purity	98%
Density	1.51±0.1 g/ml
pKa	12.76±0.70
Appearance	White to off-white solid