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

Structural Information

Molecular Formula

C₁₆₅H₂₀₇N₆₉O₈₃P₁₆S₁₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=O)(OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9CO)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=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)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=CC(=NC1=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=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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)O

InChI

InChI=1S/C165H207N69O83P16S16/c1-62-30-223(164(251)216-143(62)237)109-19-70(88(292-109)39-276-329(264,345)313-76-25-115(230-57-192-125-138(230)204-154(176)211-147(125)241)299-95(76)46-282-332(267,348)316-79-28-118(233-60-195-128-141(233)207-157(179)214-150(128)244)301-97(79)48-284-333(268,349)317-80-29-119(234-61-196-129-142(234)208-158(180)215-151(129)245)300-96(80)47-283-331(266,347)315-78-27-117(232-59-194-127-140(232)206-156(178)213-149(127)243)298-94(78)45-280-323(258,339)306-69-18-108(222-12-7-102(170)201-163(222)250)289-85(69)36-273-326(261,342)310-72-21-111(226-53-188-121-131(172)182-50-185-134(121)226)293-89(72)40-270-319(254,335)302-65-14-104(285-81(65)32-235)218-8-3-98(166)197-159(218)246)307-324(259,340)272-35-84-68(17-107(288-84)221-11-6-101(169)200-162(221)249)305-322(257,338)278-43-92-75(24-114(296-92)229-56-191-124-137(229)203-153(175)210-146(124)240)312-327(262,343)274-37-86-66(15-105(290-86)219-9-4-99(167)198-160(219)247)303-320(255,336)271-34-83-67(16-106(287-83)220-10-5-100(168)199-161(220)248)304-321(256,337)279-44-93-77(26-116(297-93)231-58-193-126-139(231)205-155(177)212-148(126)242)314-330(265,346)277-41-90-73(22-112(294-90)227-54-189-122-132(173)183-51-186-135(122)227)311-328(263,344)275-38-87-71(20-110(291-87)224-31-63(2)144(238)217-165(224)252)308-325(260,341)281-42-91-74(23-113(295-91)228-55-190-123-136(228)202-152(174)209-145(123)239)309-318(253,334)269-33-82-64(236)13-103(286-82)225-52-187-120-130(171)181-49-184-133(120)225/h3-12,30-31,49-61,64-97,103-119,235-236H,13-29,32-48H2,1-2H3,(H,253,334)(H,254,335)(H,255,336)(H,256,337)(H,257,338)(H,258,339)(H,259,340)(H,260,341)(H,261,342)(H,262,343)(H,263,344)(H,264,345)(H,265,346)(H,266,347)(H,267,348)(H,268,349)(H2,166,197,246)(H2,167,198,247)(H2,168,199,248)(H2,169,200,249)(H2,170,201,250)(H2,171,181,184)(H2,172,182,185)(H2,173,183,186)(H,216,237,251)(H,217,238,252)(H3,174,202,209,239)(H3,175,203,210,240)(H3,176,204,211,241)(H3,177,205,212,242)(H3,178,206,213,243)(H3,179,207,214,244)(H3,180,208,215,245)

InChIKey

OJVFQXOULWNPMH-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133560