牛磺猪去氧胆酸钠

38411-85-7

MFCD09263185

C26 H44 N O6 S . Na . H2 O

539.705

InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-;;/m1../s1

InChIKey=MJKUJELEPWZEGU-IGEKTTBWSA-M

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.O.[Na+]

pro_donors:3

pro_acceptors:7

XLogP3:1.0

Bulk/Fine:F