N-ACETYLNEURAMINIC ACID DIMER, DISODIUM SALT

149331-75-9

MFCD01632727

C22 H34 N2 O17 . 2 Na

644.488

InChI=1S/C22H36N2O17.2Na/c1-7(27)23-13-9(29)3-21(38,19(34)35)40-18(13)16(33)12(6-26)39-22(20(36)37)4-10(30)14(24-8(2)28)17(41-22)15(32)11(31)5-25;;/h9-18,25-26,29-33,38H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)(H,36,37);;/q;2*+1/p-2/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21+,22+;;/m0../s1

InChIKey=LBBFNDXALMADSB-XHKHUDHPSA-L

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)(C(=O)[O-])O)O.[Na+].[Na+]

氢键供体数量:10

氢键受体数量:19

XLogP3:-9.0

Bulk/Fine:F