[[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-[[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(2-amino-6-oxo-1h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Structural Information

Molecular Formula

C₆₀H₇₉N₃₀O₅₂P₁₁

SMILES

C1C(C(OC1N2C=NC3=C2N=C(NC3=O)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)OP(=O)(O)OC7CC(OC7COP(=O)(O)OP(=O)(O)OC8CC(OC8COP(=O)(O)O)N9C=NC1=C9N=C(NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C60H79N30O52P11/c61-55-73-43-37(49(92)79-55)67-13-85(43)31-1-19(91)25(127-31)7-122-144(101,102)138-150(113,114)134-21-3-33(87-15-69-39-45(87)75-57(63)81-51(39)94)129-27(21)9-124-146(105,106)140-152(117,118)136-23-5-35(89-17-71-41-47(89)77-59(65)83-53(41)96)131-29(23)11-126-148(109,110)142-153(119,120)137-24-6-36(90-18-72-42-48(90)78-60(66)84-54(42)97)132-30(24)12-125-147(107,108)141-151(115,116)135-22-4-34(88-16-70-40-46(88)76-58(64)82-52(40)95)130-28(22)10-123-145(103,104)139-149(111,112)133-20-2-32(128-26(20)8-121-143(98,99)100)86-14-68-38-44(86)74-56(62)80-50(38)93/h13-36,91H,1-12H2,(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H2,98,99,100)(H3,61,73,79,92)(H3,62,74,80,93)(H3,63,75,81,94)(H3,64,76,82,95)(H3,65,77,83,96)(H3,66,78,84,97)

InChIKey

PYOKXKGKDQZFLR-UHFFFAOYSA-N

Compound name

[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186453