[[5-(6-aminopurin-9-yl)-3-[[[5-(6-aminopurin-9-yl)-3-[[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Structural Information

Molecular Formula

C₄₀H₅₃N₂₀O₃₀P₇

SMILES

C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OC4CC(OC4COP(=O)(O)OP(=O)(O)OC5CC(OC5COP(=O)(O)OP(=O)(O)OC6CC(OC6COP(=O)(O)O)N7C=NC8=C(N=CN=C87)N)N9C=NC1=C(N=CN=C19)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C40H53N20O30P7/c41-33-29-37(49-9-45-33)57(13-53-29)25-1-17(61)21(81-25)5-78-92(65,66)88-96(73,74)86-19-3-27(59-15-55-31-35(43)47-11-51-39(31)59)83-23(19)7-80-94(69,70)90-97(75,76)87-20-4-28(60-16-56-32-36(44)48-12-52-40(32)60)84-24(20)8-79-93(67,68)89-95(71,72)85-18-2-26(82-22(18)6-77-91(62,63)64)58-14-54-30-34(42)46-10-50-38(30)58/h9-28,61H,1-8H2,(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,44,48,52)(H2,62,63,64)

InChIKey

IVERYWSQOQOIPV-UHFFFAOYSA-N

Compound name

[[5-(6-aminopurin-9-yl)-3-[[[5-(6-aminopurin-9-yl)-3-[[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16072347