InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1

【InChIKey】

InChIKey=BNYGKUQXGBVTRE-JFWBNMEYSA-N

【SMILES】

Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C

【MOL File】

4-METHYLUMBELLIFERYL….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:10

H bond acceptor:21

XLogP3:-2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

4-METHYLUMBELLIFERYL BETA-D-N,N',N''-TRIACETYLCHITOTRIOSIDE.cml

Quick Release

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53643-13-3 4-METHYLUMBELLIFERYL BETA-D-N,N',N''-TRIACETYLCHITOTRIOSIDE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】