Catalog Number:
AG002KQI
Chemical Name:
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl]oxy]-4-methyl-, monopotassium salt (9CI)
CAS Number:
210357-38-3
Molecular Formula:
C18H21KNO11S
Molecular Weight:
498.5227
MDL Number:
MFCD00083668
IUPAC Name:
potassium;[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl sulfate
InChI:
InChI=1S/C18H21NO11S.K/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26;/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26);/q;+1/p-1/t13-,15-,16-,17-,18-;/m1./s1
InChI Key:
TYSZCFCWZWWIHC-SZSLDHOESA-M
SMILES:
CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COS(=O)(=O)O)Oc1ccc2c(c1)oc(=O)cc2C.[K]
