5'-gagggt-3'

Structural Information

Molecular Formula

C₆₀H₇₅N₂₇O₃₁P₆S₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=O)(OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)O)N8C=NC9=C8N=C(NC9=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C60H75N27O31P6S6/c1-21-8-82(60(94)81-51(21)89)34-2-22(88)28(108-34)9-103-120(97,126)115-25-5-37(85-18-70-42-48(85)74-57(63)78-53(42)91)111-31(25)12-106-123(100,129)117-27-7-39(87-20-72-44-50(87)76-59(65)80-55(44)93)113-33(27)14-107-124(101,130)118-26-6-38(86-19-71-43-49(86)75-58(64)79-54(43)92)112-32(26)13-105-122(99,128)116-24-3-35(83-16-68-40-45(61)66-15-67-46(40)83)110-30(24)11-104-121(98,127)114-23-4-36(109-29(23)10-102-119(95,96)125)84-17-69-41-47(84)73-56(62)77-52(41)90/h8,15-20,22-39,88H,2-7,9-14H2,1H3,(H,97,126)(H,98,127)(H,99,128)(H,100,129)(H,101,130)(H2,61,66,67)(H,81,89,94)(H2,95,96,125)(H3,62,73,77,90)(H3,63,74,78,91)(H3,64,75,79,92)(H3,65,76,80,93)

InChIKey

YTVCXSLJUZCHNO-UHFFFAOYSA-N

Compound name

1-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16197593