Names and Identifiers

• • (2R,3R,4R,5R)-2-(6-amino-8-bromo-9H-purin-9-yl)-5-{2-[(2S,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-2-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl}-3,4-dihydroxytetrahydrofuran-2-yl]-3-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonoo
  • 5')-8-bromo- (9CI)
  • 5')-8-bromoadenylyl-(2'&reg
  • 5')-adenylyl-(2'&reg
  • 5'-Monophosphoryladenylyl-(2'-5')adenylyl-(2'-5')-8-bromoadenylyl-(2'-5')-8-bromoadenosine
  • p5'A2'p5'A2'p5'(Br(8)A)2'p5'(Br(8)A)
  • Ppp-AA
  • +expand
• • Inchi： 1S/C40H48Br2N20O25P4/c41-37-57-15-27(45)49-6-53-31(15)61(37)34-20(66)24(67)40(83-34,3-12-21(84-88(68,69)70)19(65)33(82-12)59-8-55-13-25(43)47-4-51-29(13)59)39(87-91(77,78)79,1-10-17(63)22(85-89(71,72)73)35(80-10)60-9-56-14-26(44)48-5-52-30(14)60)2-11-18(64)23(86-90(74,75)76)36(81-11)62-32-16(58-38(62)42)28(46)50-7-54-32/h4-12,17-24,33-36,63-67H,1-3H2,(H2,43,47,51)(H2,44,48,52)(H2,45,49,53)(H2,46,50,54)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)(H2,77,78,79)/t10-,11-,12-,17-,18-,19-,20-,21-,22-,23-,24+,33-,34-,35-,36-,39?,40+/m1/s1
  • InChI Key： QZXOIQORVRLRSZ-QOISNMLESA-N
  • SMILES： BrC1=NC2C(N)=NC=NC=2N1[C@H]1[C@@H]([C@@H]([C@@](C[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(N)=NC=NC3=4)O2)O)OP(=O)(O)O)(C(C[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(N)=NC=NC3=4)O2)OP(=O)(O)O)O)(C[C@@H]2[C@H]([C@H]([C@H](N3C(=NC4C(N)=NC=NC3=4)Br)O2)OP(=O)(O)O)O)OP(=O)(O)O)O1)O)O

Computed Properties