Catalog Number:
AG0021OA
Chemical Name:
2H-1-Benzopyran-2-one, 7-[[2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl]oxy]-4-methyl-
CAS Number:
180088-52-2
Molecular Formula:
C16H19NO10S
Molecular Weight:
417.3878
MDL Number:
MFCD01320432
IUPAC Name:
[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]sulfamic acid
InChI:
InChI=1S/C16H19NO10S/c1-7-4-12(19)26-10-5-8(2-3-9(7)10)25-16-13(17-28(22,23)24)15(21)14(20)11(6-18)27-16/h2-5,11,13-18,20-21H,6H2,1H3,(H,22,23,24)/t11-,13-,14-,15-,16+/m1/s1
InChI Key:
WTEDCRZHOZSQII-BTAUDXDXSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O)O)NS(=O)(=O)O
