5'-d[gccgatgcgggg]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₁₁₇H₁₄₆N₅₁O₅₉P₁₁S₁₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7CO)N8C=NC9=C8N=C(NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C117H146N51O59P11S11/c1-42-20-160(117(182)156-99(42)171)74-13-48(60(210-74)26-198-235(190,246)223-49-14-75(161-34-131-82-90(121)129-33-130-91(82)161)211-61(49)27-199-236(191,247)225-52-17-79(166-39-136-87-96(166)146-111(126)153-104(87)176)213-63(52)29-200-231(186,242)219-46-11-72(158-6-3-68(119)140-115(158)180)208-58(46)24-196-230(185,241)218-45-10-71(157-5-2-67(118)139-114(157)179)207-57(45)23-195-229(184,240)217-44-9-76(205-55(44)21-169)163-36-133-84-93(163)143-108(123)150-101(84)173)221-233(188,244)202-31-65-51(16-78(215-65)165-38-135-86-95(165)145-110(125)152-103(86)175)224-234(189,245)197-25-59-47(12-73(209-59)159-7-4-69(120)141-116(159)181)220-232(187,243)201-30-64-53(18-80(214-64)167-40-137-88-97(167)147-112(127)154-105(88)177)226-238(193,249)204-32-66-54(19-81(216-66)168-41-138-89-98(168)148-113(128)155-106(89)178)227-237(192,248)203-28-62-50(15-77(212-62)164-37-134-85-94(164)144-109(124)151-102(85)174)222-228(183,239)194-22-56-43(170)8-70(206-56)162-35-132-83-92(162)142-107(122)149-100(83)172/h2-7,20,33-41,43-66,70-81,169-170H,8-19,21-32H2,1H3,(H,183,239)(H,184,240)(H,185,241)(H,186,242)(H,187,243)(H,188,244)(H,189,245)(H,190,246)(H,191,247)(H,192,248)(H,193,249)(H2,118,139,179)(H2,119,140,180)(H2,120,141,181)(H2,121,129,130)(H,156,171,182)(H3,122,142,149,172)(H3,123,143,150,173)(H3,124,144,151,174)(H3,125,145,152,175)(H3,126,146,153,176)(H3,127,147,154,177)(H3,128,148,155,178)

InChIKey

TVIODXGKOLSHNC-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133552