CID 16204627
5'-agccgcgtaccgtcggctacg-3'
Structural Information
- Molecular Formula
- C202H257N80O106P21S21
- 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(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=CC(=NC1=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=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C202H257N80O106P21S21/c1-78-41-270(200(302)259-175(78)284)140-29-90(377-398(315,419)331-49-107-88(27-138(352-107)268-18-10-129(209)243-198(268)300)375-396(313,417)345-62-120-101(40-151(366-120)282-77-236-161-174(282)251-191(220)258-184(161)293)388-409(326,430)347-64-122-98(37-148(368-122)279-74-233-158-171(279)248-188(217)255-181(158)290)385-406(323,427)335-52-110-85(24-135(355-110)265-15-7-126(206)240-195(265)297)372-393(310,414)337-54-112-91(30-141(357-112)271-42-79(2)176(285)260-201(271)303)378-399(316,420)340-57-115-94(33-144(361-115)274-69-228-153-163(212)222-66-225-166(153)274)381-402(319,423)332-46-104-82(21-132(349-104)262-12-4-123(203)237-192(262)294)369-390(307,411)328-44-102-81(283)20-131(348-102)276-71-230-155-168(276)245-185(214)252-178(155)287)113(358-140)55-338-407(324,428)386-99-38-149(280-75-234-159-172(280)249-189(218)256-182(159)291)364-118(99)60-343-395(312,416)374-87-26-137(267-17-9-128(208)242-197(267)299)350-105(87)47-329-391(308,412)370-83-22-133(263-13-5-124(204)238-193(263)295)353-108(83)50-333-403(320,424)382-95-34-145(275-70-229-154-164(213)223-67-226-167(154)275)362-116(95)58-341-400(317,421)379-92-31-142(272-43-80(3)177(286)261-202(272)304)359-114(92)56-339-408(325,429)387-100-39-150(281-76-235-160-173(281)250-190(219)257-183(160)292)365-119(100)61-344-397(314,418)376-89-28-139(269-19-11-130(210)244-199(269)301)356-111(89)53-336-404(321,425)383-96-35-146(277-72-231-156-169(277)246-186(215)253-179(156)288)363-117(96)59-342-394(311,415)373-86-25-136(266-16-8-127(207)241-196(266)298)351-106(86)48-330-392(309,413)371-84-23-134(264-14-6-125(205)239-194(264)296)354-109(84)51-334-405(322,426)384-97-36-147(278-73-232-157-170(278)247-187(216)254-180(157)289)367-121(97)63-346-401(318,422)380-93-32-143(360-103(93)45-327-389(305,306)410)273-68-227-152-162(211)221-65-224-165(152)273/h4-19,41-43,65-77,81-122,131-151,283H,20-40,44-64H2,1-3H3,(H,307,411)(H,308,412)(H,309,413)(H,310,414)(H,311,415)(H,312,416)(H,313,417)(H,314,418)(H,315,419)(H,316,420)(H,317,421)(H,318,422)(H,319,423)(H,320,424)(H,321,425)(H,322,426)(H,323,427)(H,324,428)(H,325,429)(H,326,430)(H2,203,237,294)(H2,204,238,295)(H2,205,239,296)(H2,206,240,297)(H2,207,241,298)(H2,208,242,299)(H2,209,243,300)(H2,210,244,301)(H2,211,221,224)(H2,212,222,225)(H2,213,223,226)(H,259,284,302)(H,260,285,303)(H,261,286,304)(H2,305,306,410)(H3,214,245,252,287)(H3,215,246,253,288)(H3,216,247,254,289)(H3,217,248,255,290)(H3,218,249,256,291)(H3,219,250,257,292)(H3,220,251,258,293)
- InChIKey
- POVJNRLNVQUZBO-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)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]-5-(4-amino-2-oxopyrimidin-1-yl)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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[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]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6821.5879 | 311.5 |
[M+Na]+ | 6843.5698 | 311.5 |
[M-H]- | 6819.5733 | 311.5 |
[M+NH4]+ | 6838.6144 | 311.5 |
[M+K]+ | 6859.5438 | 311.5 |
[M+H-H2O]+ | 6803.5779 | 311.5 |
[M+HCOO]- | 6865.5788 | 311.5 |
[M+CH3COO]- | 6879.5945 | 311.5 |
[M+Na-2H]- | 6841.5553 | 311.5 |
[M]+ | 6820.5801 | 311.5 |
[M]- | 6820.5811 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.