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

Structural Information

Molecular Formula

C₁₄₇H₁₈₂N₆₆O₇₃P₁₄S₁₄

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(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=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=C(N=CN=C21)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)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(=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)O)S

InChI

InChI=1S/C147H182N66O73P14S14/c1-52-23-202(147(229)198-125(52)216)90-13-58(277-292(235,306)250-30-74-59(14-91(264-74)203-41-166-101-112(151)162-39-164-114(101)203)279-293(236,307)247-27-71-56(11-88(261-71)200-6-3-84(149)178-145(200)227)275-290(233,304)252-34-78-63(18-96(268-78)209-47-172-107-120(209)184-139(157)193-130(107)221)283-298(241,312)256-37-81-66(21-99(271-81)212-50-175-110-123(212)187-142(160)196-133(110)224)285-297(240,311)254-33-77-61(16-94(267-77)207-45-170-105-118(207)182-137(155)191-128(105)219)278-287(230,301)244-25-69-53(215)8-86(259-69)205-43-168-103-116(205)180-135(153)189-126(103)217)73(263-90)29-249-289(232,303)274-55-10-87(199-5-2-83(148)177-144(199)226)260-70(55)26-246-294(237,308)280-60-15-92(204-42-167-102-113(152)163-40-165-115(102)204)265-75(60)31-251-296(239,310)282-65-20-98(211-49-174-109-122(211)186-141(159)195-132(109)223)270-80(65)36-255-300(243,314)286-67-22-100(213-51-176-111-124(213)188-143(161)197-134(111)225)272-82(67)38-257-299(242,313)284-64-19-97(210-48-173-108-121(210)185-140(158)194-131(108)222)269-79(64)35-253-291(234,305)276-57-12-89(201-7-4-85(150)179-146(201)228)262-72(57)28-248-295(238,309)281-62-17-95(208-46-171-106-119(208)183-138(156)192-129(106)220)266-76(62)32-245-288(231,302)273-54-9-93(258-68(54)24-214)206-44-169-104-117(206)181-136(154)190-127(104)218/h2-7,23,39-51,53-82,86-100,214-215H,8-22,24-38H2,1H3,(H,230,301)(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H,236,307)(H,237,308)(H,238,309)(H,239,310)(H,240,311)(H,241,312)(H,242,313)(H,243,314)(H2,148,177,226)(H2,149,178,227)(H2,150,179,228)(H2,151,162,164)(H2,152,163,165)(H,198,216,229)(H3,153,180,189,217)(H3,154,181,190,218)(H3,155,182,191,219)(H3,156,183,192,220)(H3,157,184,193,221)(H3,158,185,194,222)(H3,159,186,195,223)(H3,160,187,196,224)(H3,161,188,197,225)

InChIKey

FXSXYUKASWQELK-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133545