N-(4-METHYLBENZENESULFONYL)ERYTHROMYCYLAMINE

56998-46-0

MFCD01729128

C44 H76 N2 O14 S

889.15

InChI=1S/C44H76N2O14S/c1-15-32-44(11,52)37(48)26(5)34(45-61(53,54)30-18-16-23(2)17-19-30)24(3)21-42(9,51)39(60-41-35(47)31(46(12)13)20-25(4)56-41)27(6)36(28(7)40(50)58-32)59-33-22-43(10,55-14)38(49)29(8)57-33/h16-19,24-29,31-39,41,45,47-49,51-52H,15,20-22H2,1-14H3/t24-,25-,26+,27+,28-,29+,31+,32-,33+,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1

InChIKey=PKZJCCQFQFWULK-ACDMKHJNSA-N

CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)NS(=O)(=O)c4ccc(cc4)C)C)O)(C)O

H bond donor:6

H bond acceptor:16

XLogP3:5.0

Bulk/Fine:F