InChI=1S/C52H88N2O39/c1-11-23(63)28(68)33(73)48(79-11)88-39-19(9-59)85-47(22(54-14(4)62)42(39)91-50-35(75)30(70)25(65)15(5-55)82-50)93-44-27(67)17(7-57)84-52(37(44)77)89-40-20(10-60)86-46(21(53-13(3)61)41(40)90-49-34(74)29(69)24(64)12(2)80-49)92-43-26(66)16(6-56)83-51(36(43)76)87-38-18(8-58)81-45(78)32(72)31(38)71/h11-12,15-52,55-60,63-78H,5-10H2,1-4H3,(H,53,61)(H,54,62)/t11-,12-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45?,46-,47-,48-,49-,50-,51-,52-/m0/s1

【InChIKey】

InChIKey=HJMBQVKZIAVXPZ-OMAMDIHNSA-N

【SMILES】

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O[C@H]7[C@H]([C@H](O[C@H]([C@@H]7O)O[C@@H]8[C@H](OC([C@@H]([C@H]8O)O)O)CO)CO)O)CO)CO)O)CO)O)O)O

【MOL File】

DIFUCOSYLLACTO-N-HEX….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:24

H bond acceptor:41

XLogP3:-13.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

DIFUCOSYLLACTO-N-HEXAOSE.cml

Quick Release

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98359-76-3 DIFUCOSYLLACTO-N-HEXAOSE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】