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

Structural Information

Molecular Formula

C₁₄₅H₁₈₂N₆₂O₇₄P₁₄S₁₄

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(OC8CO)N9C=CC(=NC9=O)N)N1C=NC2=C1N=C(NC2=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(=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C145H182N62O74P14S14/c1-53-27-198(145(224)192-123(53)210)95-18-60(75(259-95)34-245-291(234,305)274-61-19-96(199-44-162-104-113(151)160-43-161-114(104)199)260-76(61)35-246-292(235,306)278-65-23-100(204-49-167-109-119(204)180-136(156)188-128(109)215)262-78(65)37-247-285(228,299)271-58-16-93(196-10-5-87(149)174-143(196)222)256-72(58)31-241-284(227,298)270-57-15-92(195-9-4-86(148)173-142(195)221)257-73(57)32-243-289(232,303)275-62-20-97(201-46-164-106-116(201)177-133(153)185-125(106)212)261-77(62)36-240-283(226,297)268-55-13-90(253-69(55)28-208)193-7-2-84(146)171-140(193)219)273-287(230,301)249-39-80-63(21-98(264-80)202-47-165-107-117(202)178-134(154)186-126(107)213)276-290(233,304)244-33-74-59(17-94(258-74)197-11-6-88(150)175-144(197)223)272-286(229,300)248-38-79-66(24-101(263-79)205-50-168-110-120(205)181-137(157)189-129(110)216)279-293(236,307)251-41-82-68(26-103(266-82)207-52-170-112-122(207)183-139(159)191-131(112)218)281-295(238,309)252-42-83-67(25-102(267-83)206-51-169-111-121(206)182-138(158)190-130(111)217)280-294(237,308)250-40-81-64(22-99(265-81)203-48-166-108-118(203)179-135(155)187-127(108)214)277-288(231,302)242-30-71-56(14-91(255-71)194-8-3-85(147)172-141(194)220)269-282(225,296)239-29-70-54(209)12-89(254-70)200-45-163-105-115(200)176-132(152)184-124(105)211/h2-11,27,43-52,54-83,89-103,208-209H,12-26,28-42H2,1H3,(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)(H,238,309)(H2,146,171,219)(H2,147,172,220)(H2,148,173,221)(H2,149,174,222)(H2,150,175,223)(H2,151,160,161)(H,192,210,224)(H3,152,176,184,211)(H3,153,177,185,212)(H3,154,178,186,213)(H3,155,179,187,214)(H3,156,180,188,215)(H3,157,181,189,216)(H3,158,182,190,217)(H3,159,183,191,218)

InChIKey

BRVPGLNPPFRAJE-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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]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-[[[5-(4-amino-2-oxopyrimidin-1-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]-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 16133551