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

Structural Information

Molecular Formula

C₁₉₃H₂₄₃N₈₀O₉₇P₁₉S₁₉

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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C193H243N80O97P19S19/c1-74-37-261(192(292)252-169(74)276)130-24-83(104(340-130)47-321-383(306,402)365-90-31-137(268-68-225-148-163(268)239-179(206)246-172(148)279)349-113(90)56-329-388(311,407)369-94-35-141(272-72-229-152-167(272)243-183(210)250-176(152)283)351-115(94)58-331-389(312,408)370-95-36-142(273-73-230-153-168(273)244-184(211)251-177(153)284)350-114(95)57-330-387(310,406)368-92-33-139(270-70-227-150-165(270)241-181(208)248-174(150)281)347-111(92)54-327-376(299,395)357-82-23-129(260-16-9-122(200)237-191(260)291)337-101(82)44-318-380(303,399)360-85-26-132(263-63-220-143-154(201)212-59-216-158(143)263)341-105(85)48-314-372(295,391)352-77-18-124(332-96(77)39-274)255-11-4-117(195)232-186(255)286)358-377(300,396)316-43-100-81(22-128(336-100)259-15-8-121(199)236-190(259)290)356-375(298,394)325-52-109-89(30-136(345-109)267-67-224-147-162(267)238-178(205)245-171(147)278)364-381(304,400)319-45-102-79(20-126(338-102)257-13-6-119(197)234-188(257)288)354-373(296,392)315-42-99-80(21-127(335-99)258-14-7-120(198)235-189(258)289)355-374(297,393)326-53-110-91(32-138(346-110)269-69-226-149-164(269)240-180(207)247-173(149)280)366-385(308,404)323-50-107-87(28-134(343-107)265-65-222-145-156(203)214-61-218-160(145)265)362-382(305,401)320-46-103-84(25-131(339-103)262-38-75(2)170(277)253-193(262)293)359-378(301,397)328-55-112-93(34-140(348-112)271-71-228-151-166(271)242-182(209)249-175(151)282)367-386(309,405)324-51-108-88(29-135(344-108)266-66-223-146-157(204)215-62-219-161(146)266)363-384(307,403)322-49-106-86(27-133(342-106)264-64-221-144-155(202)213-60-217-159(144)264)361-379(302,398)317-41-98-78(19-125(334-98)256-12-5-118(196)233-187(256)287)353-371(294,390)313-40-97-76(275)17-123(333-97)254-10-3-116(194)231-185(254)285/h3-16,37-38,59-73,76-115,123-142,274-275H,17-36,39-58H2,1-2H3,(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H2,194,231,285)(H2,195,232,286)(H2,196,233,287)(H2,197,234,288)(H2,198,235,289)(H2,199,236,290)(H2,200,237,291)(H2,201,212,216)(H2,202,213,217)(H2,203,214,218)(H2,204,215,219)(H,252,276,292)(H,253,277,293)(H3,205,238,245,278)(H3,206,239,246,279)(H3,207,240,247,280)(H3,208,241,248,281)(H3,209,242,249,282)(H3,210,243,250,283)(H3,211,244,251,284)

InChIKey

OGEUSFSTHFSNTI-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-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-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 16133526