Catalog Number:
AG002CR5
Chemical Name:
β-D-Galactopyranoside, 4-nitrophenyl, monohydrate (9CI)
CAS Number:
200422-18-0
Molecular Formula:
C12H17NO9
Molecular Weight:
319.2647
MDL Number:
MFCD00150725
IUPAC Name:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol;hydrate
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
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O.O
