[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(1,3-benzoxazol-2-yl)phenyl] hydrogen phosphate

Structural Information

Molecular Formula

C₇₃H₈₂N₂₈O₃₈P₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=CC=CC=C3C4=NC5=CC=CC=C5O4)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C73H82N28O38P6/c1-29-16-96(73(108)95-63(29)103)47-11-35(41(128-47)18-122-140(109,110)134-33-8-4-2-6-30(33)68-86-31-7-3-5-9-34(31)133-68)135-142(113,114)124-20-43-37(13-49(130-43)99-26-83-54-60(99)88-70(76)92-65(54)105)138-144(117,118)126-22-45-39(15-51(132-45)101-28-85-56-62(101)90-72(78)94-67(56)107)139-145(119,120)125-21-44-38(14-50(131-44)100-27-84-55-61(100)89-71(77)93-66(55)106)137-143(115,116)123-19-42-36(12-48(129-42)97-24-81-52-57(74)79-23-80-58(52)97)136-141(111,112)121-17-40-32(102)10-46(127-40)98-25-82-53-59(98)87-69(75)91-64(53)104/h2-9,16,23-28,32,35-51,102H,10-15,17-22H2,1H3,(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H2,74,79,80)(H,95,103,108)(H3,75,87,91,104)(H3,76,88,92,105)(H3,77,89,93,106)(H3,78,90,94,107)

InChIKey

LRAPUXDABCIMHY-UHFFFAOYSA-N

Compound name

[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(1,3-benzoxazol-2-yl)phenyl] hydrogen phosphate

Related CIDs

• CID 16131457