Anti-tar 2'-o-methyl oligonucleotide

Structural Information

Molecular Formula

C₁₆₈H₂₂₇N₅₈O₁₁₁P₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5OC)N6C=NC7=C6N=C(NC7=O)N)CO)OP(=O)(O)OCC8C(C(C(O8)N9C=CC(=NC9=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC

InChI

InChI=1S/C168H227N58O111P15/c1-60-35-219(167(244)209-131(60)229)146-117(285-12)101(71(316-146)46-300-342(254,255)327-95-64(309-140(111(95)279-6)213-29-21-80(171)193-161(213)238)39-293-339(248,249)323-93-62(37-227)307-149(109(93)277-4)222-55-186-87-126(222)199-154(178)204-133(87)231)331-346(262,263)296-43-68-97(113(281-8)142(313-68)215-31-23-82(173)195-163(215)240)326-341(252,253)294-41-66-96(112(280-7)141(311-66)214-30-22-81(172)194-162(214)239)325-340(250,251)295-42-67-99(115(283-10)144(312-67)217-33-25-84(175)197-165(217)242)329-344(258,259)304-50-75-106(122(290-17)152(320-75)225-58-189-90-129(225)202-157(181)207-136(90)234)336-351(272,273)306-52-77-107(123(291-18)153(322-77)226-59-190-91-130(226)203-158(182)208-137(91)235)337-352(274,275)305-51-76-104(120(288-15)150(321-76)223-56-187-88-127(223)200-155(179)205-134(88)232)334-349(268,269)299-45-70-98(114(282-9)143(315-70)216-32-24-83(174)196-164(216)241)328-343(256,257)301-47-72-102(118(286-13)147(317-72)220-36-61(2)132(230)210-168(220)245)332-347(264,265)297-44-69-100(116(284-11)145(314-69)218-34-26-85(176)198-166(218)243)330-345(260,261)303-49-74-105(121(289-16)151(319-74)224-57-188-89-128(224)201-156(180)206-135(89)233)335-350(270,271)302-48-73-103(119(287-14)148(318-73)221-54-185-86-124(177)183-53-184-125(86)221)333-348(266,267)298-40-65-94(110(278-5)139(310-65)212-28-20-79(170)192-160(212)237)324-338(246,247)292-38-63-92(228)108(276-3)138(308-63)211-27-19-78(169)191-159(211)236/h19-36,53-59,62-77,92-123,138-153,227-228H,37-52H2,1-18H3,(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H2,169,191,236)(H2,170,192,237)(H2,171,193,238)(H2,172,194,239)(H2,173,195,240)(H2,174,196,241)(H2,175,197,242)(H2,176,198,243)(H2,177,183,184)(H,209,229,244)(H,210,230,245)(H3,178,199,204,231)(H3,179,200,205,232)(H3,180,201,206,233)(H3,181,202,207,234)(H3,182,203,208,235)

InChIKey

XURGKJLNQRWPMS-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16130304