NPOM-CAGED-DT CEP

942218-71-5

MFCD10687008

C50 H58 N5 O13 P

968.004

InChI=1S/C50H58N5O13P/c1-32(2)54(33(3)4)69(66-24-12-23-51)68-45-27-47(52-28-34(5)48(56)53(49(52)57)30-62-35(6)41-25-43-44(64-31-63-43)26-42(41)55(58)59)67-46(45)29-65-50(36-13-10-9-11-14-36,37-15-19-39(60-7)20-16-37)38-17-21-40(61-8)22-18-38/h9-11,13-22,25-26,28,32-33,35,45-47H,12,24,27,29-31H2,1-8H3/t35?,45-,46+,47+,69?/m0/s1

InChIKey=HELMADRJLXZBLS-GMKPMIKASA-N

Cc1cn(c(=O)n(c1=O)COC(C)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]4C[C@@H]([C@H](O4)COC(c5ccccc5)(c6ccc(cc6)OC)c7ccc(cc7)OC)OP(N(C(C)C)C(C)C)OCCC#N

H bond donor:0

H bond acceptor:18

XLogP3:7.0

Bulk/Fine:F