4-Nitrophenyl beta-D-galactopyranoside

Catalog	BBC200422180
CAS	200422-18-0
Structure
Synonyms	p-Nitrophenyl-β-D-Glucopyranoside(PNPG)
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol;hydrate
Molecular Weight	301.25
Molecular Formula	C12H15NO8
Canonical SMILES	C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O.O
InChI	InChI=1S/C12H15NO8.H₂O/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19;/h1-4,8-12,14-17H,5H2;1H2/t8-,9+,10+,11-,12-;/m1./s1
InChI Key	KSEGJDPERYLUSV-YOGPMPDXSA-N
Melting Point	180-184 °C (lit.)
Purity	98%