5'-d[ggggtcgccgatgaacc]-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(OC6CO)N7C=NC8=C7N=C(NC8=O)N)N9C=NC1=C9N=C(NC1=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/C165H207N69O83P16S16/c1-62-30-223(164(251)216-143(62)237)108-19-70(88(292-108)39-276-328(263,344)313-77-26-116(231-58-193-126-139(231)205-155(177)212-148(126)242)300-96(77)47-284-333(268,349)317-80-29-119(234-61-196-129-142(234)208-158(180)215-151(129)245)301-97(80)48-283-332(267,348)314-75-24-114(229-56-191-124-137(229)203-153(175)210-146(124)240)296-92(75)43-270-319(254,335)302-65-14-113(285-81(65)32-235)228-55-190-123-136(228)202-152(174)209-145(123)239)307-323(258,339)272-36-85-69(18-107(289-85)222-12-7-102(170)201-163(222)250)306-322(257,338)280-44-93-76(25-115(297-93)230-57-192-125-138(230)204-154(176)211-147(125)241)312-326(261,342)274-37-86-67(16-105(290-86)220-10-5-100(168)199-161(220)248)304-320(255,336)271-35-84-68(17-106(288-84)221-11-6-101(169)200-162(221)249)305-321(256,337)281-45-94-78(27-117(298-94)232-59-194-127-140(232)206-156(178)213-149(127)243)315-330(265,346)278-41-90-73(22-111(294-90)226-53-188-121-131(172)182-50-185-134(121)226)310-327(262,343)275-38-87-71(20-109(291-87)224-31-63(2)144(238)217-165(224)252)308-324(259,340)282-46-95-79(28-118(299-95)233-60-195-128-141(233)207-157(179)214-150(128)244)316-331(266,347)279-42-91-74(23-112(295-91)227-54-189-122-132(173)183-51-186-135(122)227)311-329(264,345)277-40-89-72(21-110(293-89)225-52-187-120-130(171)181-49-184-133(120)225)309-325(260,341)273-34-83-66(15-104(287-83)219-9-4-99(167)198-160(219)247)303-318(253,334)269-33-82-64(236)13-103(286-82)218-8-3-98(166)197-159(218)246/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

RVNAGCJXCLKCKY-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-(hydroxymethyl)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 16133558