5'-dtttttttttt-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₀₀H₁₃₁N₂₀O₅₉P₉S₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=O)(OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)S)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C100H131N20O59P9S9/c1-41-21-111(91(133)101-81(41)123)71-11-51(122)62(162-71)32-152-180(143,189)172-53-13-73(113-23-43(3)83(125)103-93(113)135)164-64(53)34-154-182(145,191)174-55-15-75(115-25-45(5)85(127)105-95(115)137)166-66(55)36-156-184(147,193)176-57-17-77(117-27-47(7)87(129)107-97(117)139)168-68(57)38-158-186(149,195)178-59-19-79(119-29-49(9)89(131)109-99(119)141)170-70(59)40-160-188(151,197)179-60-20-80(120-30-50(10)90(132)110-100(120)142)169-69(60)39-159-187(150,196)177-58-18-78(118-28-48(8)88(130)108-98(118)140)167-67(58)37-157-185(148,194)175-56-16-76(116-26-46(6)86(128)106-96(116)138)165-65(56)35-155-183(146,192)173-54-14-74(114-24-44(4)84(126)104-94(114)136)163-63(54)33-153-181(144,190)171-52-12-72(161-61(52)31-121)112-22-42(2)82(124)102-92(112)134/h21-30,51-80,121-122H,11-20,31-40H2,1-10H3,(H,143,189)(H,144,190)(H,145,191)(H,146,192)(H,147,193)(H,148,194)(H,149,195)(H,150,196)(H,151,197)(H,101,123,133)(H,102,124,134)(H,103,125,135)(H,104,126,136)(H,105,127,137)(H,106,128,138)(H,107,129,139)(H,108,130,140)(H,109,131,141)(H,110,132,142)

InChIKey

VHENQZKAOWMKBA-UHFFFAOYSA-N

Compound name

1-[4-hydroxy-5-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204697