CID 16130783
G t g c t c a t g g t g c a c g g t c t (2'-o-methyl)
Structural Information
- Molecular Formula
- C215H288N72O145P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5OC)N6C=C(C(=O)NC6=O)C)COP(=O)(O)OC7C(OC(C7OC)N8C=NC9=C8N=C(NC9=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O)O)OC
- InChI
- InChI=1S/C215H288N72O145P20/c1-74-37-273(210(307)262-165(74)289)178-134(354-7)114(288)80(394-178)43-375-434(316,317)415-116-82(395-179(135(116)355-8)268-32-27-100(216)243-205(268)302)45-376-440(328,329)421-122-90(403-185(141(122)361-14)275-39-76(3)167(291)264-212(275)309)53-384-449(346,347)429-130-98(412-194(150(130)370-23)284-70-239-110-161(284)251-201(226)258-174(110)298)61-392-451(350,351)431-132-94(408-196(152(132)372-25)286-72-241-112-163(286)253-203(228)260-176(112)300)57-388-439(326,327)419-120-84(397-183(139(120)359-12)272-36-31-104(220)247-209(272)306)47-378-445(338,339)425-126-92(406-189(145(126)365-18)279-65-234-105-154(221)230-63-232-156(105)279)55-386-438(324,325)418-119-86(399-182(138(119)358-11)271-35-30-103(219)246-208(271)305)49-380-447(342,343)428-129-96(410-193(149(129)369-22)283-69-238-109-160(283)250-200(225)257-173(109)297)59-390-443(334,335)424-125-91(404-188(144(125)364-17)278-42-79(6)170(294)267-215(278)312)54-385-450(348,349)430-131-99(413-195(151(131)371-24)285-71-240-111-162(285)252-202(227)259-175(111)299)62-393-452(352,353)432-133-97(411-197(153(133)373-26)287-73-242-113-164(287)254-204(229)261-177(113)301)60-391-444(336,337)423-124-89(402-187(143(124)363-16)277-41-78(5)169(293)266-214(277)311)52-383-448(344,345)426-127-93(407-190(146(127)366-19)280-66-235-106-155(222)231-64-233-157(106)280)56-387-437(322,323)417-118-83(396-181(137(118)357-10)270-34-29-102(218)245-207(270)304)46-377-441(330,331)420-121-88(401-184(140(121)360-13)274-38-75(2)166(290)263-211(274)308)51-382-436(320,321)416-117-85(398-180(136(117)356-9)269-33-28-101(217)244-206(269)303)48-379-446(340,341)427-128-95(409-192(148(128)368-21)282-68-237-108-159(282)249-199(224)256-172(108)296)58-389-442(332,333)422-123-87(400-186(142(123)362-15)276-40-77(4)168(292)265-213(276)310)50-381-435(318,319)414-115-81(44-374-433(313,314)315)405-191(147(115)367-20)281-67-236-107-158(281)248-198(223)255-171(107)295/h27-42,63-73,80-99,114-153,178-197,288H,43-62H2,1-26H3,(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H2,216,243,302)(H2,217,244,303)(H2,218,245,304)(H2,219,246,305)(H2,220,247,306)(H2,221,230,232)(H2,222,231,233)(H,262,289,307)(H,263,290,308)(H,264,291,309)(H,265,292,310)(H,266,293,311)(H,267,294,312)(H2,313,314,315)(H3,223,248,255,295)(H3,224,249,256,296)(H3,225,250,257,297)(H3,226,251,258,298)(H3,227,252,259,299)(H3,228,253,260,300)(H3,229,254,261,301)
- InChIKey
- RMXDPLPJTOWYSY-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[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)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6818.2203 | 311.5 |
[M+Na]+ | 6840.2022 | 311.5 |
[M-H]- | 6816.2057 | 311.5 |
[M+NH4]+ | 6835.2468 | 311.5 |
[M+K]+ | 6856.1762 | 311.5 |
[M+H-H2O]+ | 6800.2103 | 311.5 |
[M+HCOO]- | 6862.2112 | 311.5 |
[M+CH3COO]- | 6876.2269 | 311.5 |
[M+Na-2H]- | 6838.1877 | 311.5 |
[M]+ | 6817.2125 | 311.5 |
[M]- | 6817.2135 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.