InChI=1S/C70H118N2O56/c1-14(82)71-27-52(37(92)23(10-80)110-60(27)107)121-61-28(72-15(2)83)53(38(93)24(11-81)111-61)122-65-51(106)54(123-68-59(46(101)35(90)20(7-77)116-68)128-70-58(45(100)34(89)22(9-79)118-70)126-64-50(105)42(97)31(86)18(5-75)114-64)39(94)26(119-65)13-109-67-56(127-69-57(44(99)33(88)21(8-78)117-69)125-63-49(104)41(96)30(85)17(4-74)113-63)47(102)36(91)25(120-67)12-108-66-55(43(98)32(87)19(6-76)115-66)124-62-48(103)40(95)29(84)16(3-73)112-62/h16-70,73-81,84-107H,3-13H2,1-2H3,(H,71,82)(H,72,83)/t16-,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-,53-,54+,55+,56+,57+,58+,59+,60?,61?,62-,63-,64-,65+,66+,67+,68-,69-,70-/m1/s1

【InChIKey】

InChIKey=FLUNXHWGFSEUEL-FKWYCMHWSA-N

【SMILES】

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)NC(=O)C

【MOL File】

MANNONONAOSE-DI(N-AC….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:35

H bond acceptor:58

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

MANNONONAOSE-DI(N-ACETYL-D-GLUCOSAMINE).cml

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71246-55-4 MANNONONAOSE-DI(N-ACETYL-D-GLUCOSAMINE)

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】