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

【InChIKey】

InChIKey=TYSZCFCWZWWIHC-FBFKMQNYSA-M

【SMILES】

Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O)O)NC(=O)C.[K+]

【MOL File】

4-METHYLUMBELLIFERYL….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:12

XLogP3:-2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

4-METHYLUMBELLIFERYL 6-SULFO-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE, POTASSIUM SALT.cml

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210357-37-2 4-METHYLUMBELLIFERYL 6-SULFO-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE, POTASSIUM SALT

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】