CID 16130804
T t c c g t g g t g t t a t a t a g t t (2'-o-methyl)
Structural Information
- Molecular Formula
- C218H292N66O148P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=C(C(=O)NC4=O)C)COP(=O)(O)OC5C(OC(C5OC)N6C=NC7=C6N=C(NC7=O)N)COP(=O)(O)OC8C(OC(C8OC)N9C=NC1=C(N=CN=C19)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=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=C(C(=O)NC1=O)C)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=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=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)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=C(C(=O)NC1=O)C)COP(=O)(O)O)O)OC
- InChI
- InChI=1S/C218H292N66O148P20/c1-76-35-267(209(303)255-167(76)286)182-136(354-11)116(285)86(394-182)45-375-434(316,317)417-120-90(398-186(140(120)358-15)269-37-78(3)169(288)257-211(269)305)49-382-447(342,343)430-133-104(412-199(153(133)371-28)282-73-240-113-164(282)247-204(226)252-179(113)298)63-392-451(350,351)427-130-100(408-196(150(130)368-25)279-70-237-110-158(223)231-67-234-161(110)279)59-388-442(332,333)422-125-94(402-191(145(125)363-20)274-42-83(8)174(293)262-216(274)310)53-381-446(340,341)426-129-99(407-195(149(129)367-24)278-69-236-109-157(222)230-66-233-160(109)278)58-387-441(330,331)421-124-93(401-190(144(124)362-19)273-41-82(7)173(292)261-215(273)309)52-380-445(338,339)425-128-98(406-194(148(128)366-23)277-68-235-108-156(221)229-65-232-159(108)277)57-386-440(328,329)420-123-92(400-189(143(123)361-18)272-40-81(6)172(291)260-214(272)308)51-379-439(326,327)419-122-95(403-188(142(122)360-17)271-39-80(5)171(290)259-213(271)307)54-383-449(346,347)429-132-102(410-198(152(132)370-27)281-72-239-112-163(281)246-203(225)251-178(112)297)61-390-443(334,335)423-126-97(405-192(146(126)364-21)275-43-84(9)175(294)263-217(275)311)56-385-450(348,349)431-134-105(413-200(154(134)372-29)283-74-241-114-165(283)248-205(227)253-180(114)299)64-393-452(352,353)432-135-103(411-201(155(135)373-30)284-75-242-115-166(284)249-206(228)254-181(115)300)62-391-444(336,337)424-127-96(404-193(147(127)365-22)276-44-85(10)176(295)264-218(276)312)55-384-448(344,345)428-131-101(409-197(151(131)369-26)280-71-238-111-162(280)245-202(224)250-177(111)296)60-389-437(322,323)416-119-88(395-184(138(119)356-13)266-34-32-107(220)244-208(266)302)47-376-436(320,321)415-118-89(396-183(137(118)355-12)265-33-31-106(219)243-207(265)301)48-377-438(324,325)418-121-91(399-187(141(121)359-16)270-38-79(4)170(289)258-212(270)306)50-378-435(318,319)414-117-87(46-374-433(313,314)315)397-185(139(117)357-14)268-36-77(2)168(287)256-210(268)304/h31-44,65-75,86-105,116-155,182-201,285H,45-64H2,1-30H3,(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)(H2,219,243,301)(H2,220,244,302)(H2,221,229,232)(H2,222,230,233)(H2,223,231,234)(H,255,286,303)(H,256,287,304)(H,257,288,305)(H,258,289,306)(H,259,290,307)(H,260,291,308)(H,261,292,309)(H,262,293,310)(H,263,294,311)(H,264,295,312)(H2,313,314,315)(H3,224,245,250,296)(H3,225,246,251,297)(H3,226,247,252,298)(H3,227,248,253,299)(H3,228,249,254,300)
- InChIKey
- JHDKQYVFUSIBBQ-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[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)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-[[hydroxy-[4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-4-methoxyoxolan-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]-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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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]-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]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[hydroxy-[[3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]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]+ | 6822.2177 | 311.5 |
[M+Na]+ | 6844.1996 | 311.5 |
[M-H]- | 6820.2031 | 311.5 |
[M+NH4]+ | 6839.2442 | 311.5 |
[M+K]+ | 6860.1736 | 311.5 |
[M+H-H2O]+ | 6804.2077 | 311.5 |
[M+HCOO]- | 6866.2086 | 311.5 |
[M+CH3COO]- | 6880.2243 | 311.5 |
[M+Na-2H]- | 6842.1851 | 311.5 |
[M]+ | 6821.2099 | 311.5 |
[M]- | 6821.2109 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.