N6-BENZOYL-5'-O-(DMT)-7-DEAZA-2'-DEOXYADENOSINE

90335-57-2

MFCD00144201

C39 H36 N4 O6

656.735

InChI=1S/C39H36N4O6/c1-46-30-17-13-28(14-18-30)39(27-11-7-4-8-12-27,29-15-19-31(47-2)20-16-29)48-24-34-33(44)23-35(49-34)43-22-21-32-36(40-25-41-37(32)43)42-38(45)26-9-5-3-6-10-26/h3-22,25,33-35,44H,23-24H2,1-2H3,(H,40,41,42,45)/t33-,34+,35+/m0/s1

InChIKey=BJNGSSPWUWYELW-BMPTZRATSA-N

COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H](C[C@@H](O4)n5ccc6c5ncnc6NC(=O)c7ccccc7)O

H bond donor:2

H bond acceptor:10

XLogP3:6.0

Bulk/Fine:F