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

Structural Information

Molecular Formula

C₁₆₈H₂₀₉N₆₉O₈₆P₁₆S₁₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(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=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=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=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=C(C(=O)NC1=O)C)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)O)S

InChI

InChI=1S/C168H209N69O86P16S16/c1-60-26-223(165(255)217-141(60)240)103-13-68(311-324(259,340)275-31-82-64(239)9-100(292-82)229-51-188-119-132(229)199-154(173)208-145(119)244)86(296-103)35-279-328(263,344)313-70-15-105(225-28-62(3)143(242)219-167(225)257)298-88(70)37-281-332(267,348)317-74-19-110(231-53-190-121-134(231)201-156(175)210-147(121)246)304-94(74)43-287-338(273,354)322-79-24-115(236-58-195-126-139(236)206-161(180)215-152(126)251)307-97(79)46-290-339(274,355)323-80-25-116(237-59-196-127-140(237)207-162(181)216-153(127)252)306-96(80)45-289-336(271,352)320-75-20-111(232-54-191-122-135(232)202-157(176)211-148(122)247)301-91(75)40-284-327(262,343)310-67-12-102(222-8-6-99(170)198-164(222)254)293-83(67)32-277-326(261,342)309-66-11-101(221-7-5-98(169)197-163(221)253)294-84(66)33-278-331(266,347)315-72-17-107(227-49-186-117-128(171)182-47-184-130(117)227)299-89(72)38-282-334(269,350)318-77-22-113(234-56-193-124-137(234)204-159(178)213-150(124)249)303-93(77)42-286-333(268,349)316-73-18-108(228-50-187-118-129(172)183-48-185-131(118)228)300-90(73)39-283-335(270,351)319-78-23-114(235-57-194-125-138(235)205-160(179)214-151(125)250)305-95(78)44-288-337(272,353)321-76-21-112(233-55-192-123-136(233)203-158(177)212-149(123)248)302-92(76)41-285-330(265,346)314-71-16-106(226-29-63(4)144(243)220-168(226)258)297-87(71)36-280-329(264,345)312-69-14-104(224-27-61(2)142(241)218-166(224)256)295-85(69)34-276-325(260,341)308-65-10-109(291-81(65)30-238)230-52-189-120-133(230)200-155(174)209-146(120)245/h5-8,26-29,47-59,64-97,100-116,238-239H,9-25,30-46H2,1-4H3,(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)(H,269,350)(H,270,351)(H,271,352)(H,272,353)(H,273,354)(H,274,355)(H2,169,197,253)(H2,170,198,254)(H2,171,182,184)(H2,172,183,185)(H,217,240,255)(H,218,241,256)(H,219,242,257)(H,220,243,258)(H3,173,199,208,244)(H3,174,200,209,245)(H3,175,201,210,246)(H3,176,202,211,247)(H3,177,203,212,248)(H3,178,204,213,249)(H3,179,205,214,250)(H3,180,206,215,251)(H3,181,207,216,252)

InChIKey

GWHFLDIEZJQAOF-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133554