CID 16204628
5'-gggcgtgggcgtgggcg-3'
Structural Information
- Molecular Formula
- C167H208N73O88P17S17
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)O)N8C=NC9=C8N=C(NC9=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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(=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=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=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C167H208N73O88P17S17/c1-57-26-227(166(259)222-137(57)242)100-13-63(316-333(266,350)288-37-85-71(21-108(305-85)236-52-190-120-132(236)205-158(178)217-146(120)251)324-341(274,358)294-43-91-74(24-111(311-91)239-55-193-123-135(239)208-161(181)220-149(123)254)327-344(277,361)292-40-88-66(16-103(308-88)231-47-185-115-127(231)200-153(173)212-141(115)246)319-336(269,353)281-30-78-60(10-97(297-78)224-6-3-93(168)195-163(224)256)313-330(263,347)280-28-76-59(241)9-96(296-76)229-45-183-113-125(229)198-151(171)210-139(113)244)81(300-100)33-285-340(273,357)323-70-20-107(235-51-189-119-131(235)204-157(177)216-145(119)250)304-84(70)36-287-332(265,349)315-62-12-99(226-8-5-95(170)197-165(226)258)299-80(62)32-283-338(271,355)321-68-18-105(233-49-187-117-129(233)202-155(175)214-143(117)248)310-90(68)42-293-345(278,362)328-75-25-112(240-56-194-124-136(240)209-162(182)221-150(124)255)312-92(75)44-295-342(275,359)325-72-22-109(237-53-191-121-133(237)206-159(179)218-147(121)252)306-86(72)38-289-334(267,351)317-64-14-101(228-27-58(2)138(243)223-167(228)260)301-82(64)34-284-339(272,356)322-69-19-106(234-50-188-118-130(234)203-156(176)215-144(118)249)303-83(69)35-286-331(264,348)314-61-11-98(225-7-4-94(169)196-164(225)257)298-79(61)31-282-337(270,354)320-67-17-104(232-48-186-116-128(232)201-154(174)213-142(116)247)309-89(67)41-291-343(276,360)326-73-23-110(238-54-192-122-134(238)207-160(180)219-148(122)253)307-87(73)39-290-335(268,352)318-65-15-102(302-77(65)29-279-329(261,262)346)230-46-184-114-126(230)199-152(172)211-140(114)245/h3-8,26-27,45-56,59-92,96-112,241H,9-25,28-44H2,1-2H3,(H,263,347)(H,264,348)(H,265,349)(H,266,350)(H,267,351)(H,268,352)(H,269,353)(H,270,354)(H,271,355)(H,272,356)(H,273,357)(H,274,358)(H,275,359)(H,276,360)(H,277,361)(H,278,362)(H2,168,195,256)(H2,169,196,257)(H2,170,197,258)(H,222,242,259)(H,223,243,260)(H2,261,262,346)(H3,171,198,210,244)(H3,172,199,211,245)(H3,173,200,212,246)(H3,174,201,213,247)(H3,175,202,214,248)(H3,176,203,215,249)(H3,177,204,216,250)(H3,178,205,217,251)(H3,179,206,218,252)(H3,180,207,219,253)(H3,181,208,220,254)(H3,182,209,221,255)
- InChIKey
- LPTPKCXQPBUKMS-UHFFFAOYSA-N
- Compound name
- 1-[4-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-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]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5714.4913 | 311.5 |
[M+Na]+ | 5736.4732 | 311.5 |
[M-H]- | 5712.4767 | 311.5 |
[M+NH4]+ | 5731.5178 | 311.5 |
[M+K]+ | 5752.4472 | 311.5 |
[M+H-H2O]+ | 5696.4813 | 311.5 |
[M+HCOO]- | 5758.4822 | 311.5 |
[M+CH3COO]- | 5772.4979 | 311.5 |
[M+Na-2H]- | 5734.4587 | 311.5 |
[M]+ | 5713.4835 | 311.5 |
[M]- | 5713.4845 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.