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

Structural Information

Molecular Formula

C₁₄₇H₁₈₄N₆₀O₇₃P₁₄S₁₄

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(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C147H184N60O73P14S14/c1-56-25-196(145(221)190-129(56)210)92-10-59(209)75(253-92)29-238-281(224,295)273-66-17-99(200-48-169-108-117(152)161-44-165-121(108)200)259-81(66)35-245-284(227,298)269-63-14-95(195-9-6-91(150)179-144(195)220)256-78(63)32-242-287(230,301)272-65-16-97(198-27-58(3)131(212)192-147(198)223)258-80(65)34-244-289(232,303)276-70-21-103(204-52-173-112-125(204)181-138(156)186-133(112)214)263-85(70)39-248-285(228,299)270-62-13-94(194-8-5-90(149)178-143(194)219)254-76(62)30-240-283(226,297)268-61-12-93(193-7-4-89(148)177-142(193)218)255-77(61)31-241-286(229,300)271-64-15-96(197-26-57(2)130(211)191-146(197)222)257-79(64)33-243-288(231,302)274-67-18-100(201-49-170-109-118(153)162-45-166-122(109)201)260-82(67)36-246-290(233,304)275-68-19-101(202-50-171-110-119(154)163-46-167-123(110)202)261-83(68)37-247-291(234,305)278-71-22-104(205-53-174-113-126(205)182-139(157)187-134(113)215)264-86(71)40-250-293(236,307)280-73-24-106(207-55-176-115-128(207)184-141(159)189-136(115)217)266-88(73)42-251-294(237,308)279-72-23-105(206-54-175-114-127(206)183-140(158)188-135(114)216)265-87(72)41-249-292(235,306)277-69-20-102(203-51-172-111-124(203)180-137(155)185-132(111)213)262-84(69)38-239-282(225,296)267-60-11-98(252-74(60)28-208)199-47-168-107-116(151)160-43-164-120(107)199/h4-9,25-27,43-55,59-88,92-106,208-209H,10-24,28-42H2,1-3H3,(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)(H,237,308)(H2,148,177,218)(H2,149,178,219)(H2,150,179,220)(H2,151,160,164)(H2,152,161,165)(H2,153,162,166)(H2,154,163,167)(H,190,210,221)(H,191,211,222)(H,192,212,223)(H3,155,180,185,213)(H3,156,181,186,214)(H3,157,182,187,215)(H3,158,183,188,216)(H3,159,184,189,217)

InChIKey

BOCVKLFRGPJDEI-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133547