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

Structural Information

Molecular Formula

C₁₄₆H₁₈₂N₆₄O₆₉P₁₄S₁₄

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(=O)(OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=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=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C146H182N64O69P14S14/c1-57-25-200(146(222)195-133(57)213)96-14-62(269-284(227,298)248-38-85-71(23-105(263-85)209-55-181-115-131(209)189-140(159)193-136(115)216)278-291(234,305)245-32-79-63(15-97(257-79)201-47-173-107-117(151)161-41-167-123(107)201)270-280(223,294)237-27-74-58(212)10-92(252-74)196-6-2-88(147)183-142(196)218)77(255-96)30-241-287(230,301)272-65-17-99(203-49-175-109-119(153)163-43-169-125(109)203)258-80(65)33-242-282(225,296)267-60-12-94(198-8-4-90(149)185-144(198)220)254-76(60)29-240-286(229,300)276-69-21-103(207-53-179-113-129(207)187-138(157)191-134(113)214)265-87(69)40-250-293(236,307)279-72-24-106(210-56-182-116-132(210)190-141(160)194-137(116)217)264-86(72)39-249-290(233,304)275-68-20-102(206-52-178-112-122(156)166-46-172-128(112)206)260-82(68)35-244-288(231,302)273-66-18-100(204-50-176-110-120(154)164-44-170-126(110)204)259-81(66)34-243-289(232,303)274-67-19-101(205-51-177-111-121(155)165-45-171-127(111)205)261-83(67)36-246-292(235,306)277-70-22-104(208-54-180-114-130(208)188-139(158)192-135(114)215)262-84(70)37-247-283(226,297)268-61-13-95(199-9-5-91(150)186-145(199)221)253-75(61)28-239-285(228,299)271-64-16-98(202-48-174-108-118(152)162-42-168-124(108)202)256-78(64)31-238-281(224,295)266-59-11-93(251-73(59)26-211)197-7-3-89(148)184-143(197)219/h2-9,25,41-56,58-87,92-106,211-212H,10-24,26-40H2,1H3,(H,223,294)(H,224,295)(H,225,296)(H,226,297)(H,227,298)(H,228,299)(H,229,300)(H,230,301)(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H,236,307)(H2,147,183,218)(H2,148,184,219)(H2,149,185,220)(H2,150,186,221)(H2,151,161,167)(H2,152,162,168)(H2,153,163,169)(H2,154,164,170)(H2,155,165,171)(H2,156,166,172)(H,195,213,222)(H3,157,187,191,214)(H3,158,188,192,215)(H3,159,189,193,216)(H3,160,190,194,217)

InChIKey

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

Related CIDs

• CID 16133542