CID 16130792
C g t t t g g t t t t c t t t g a g g (2'-o-methyl)
Structural Information
- Molecular Formula
- C218H293N63O151P20
- 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=C(C(=O)NC8=O)C)COP(=O)(O)OC9C(OC(C9OC)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=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=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=CC(=NC1=O)N)COP(=O)(O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)O)OC
- InChI
- InChI=1S/C218H293N63O151P20/c1-75-36-264(208(302)251-163(75)283)183-138(357-15)118(416-437(322,323)376-49-88-117(137(356-14)182(396-88)263-35-33-107(220)238-207(263)301)415-436(320,321)377-50-89-119(139(358-16)184(397-89)265-37-76(2)164(284)252-209(265)303)417-438(324,325)379-52-91-123(143(362-20)188(399-91)269-41-80(6)168(288)256-213(269)307)421-442(332,333)384-57-96-127(147(366-24)192(404-96)273-45-84(10)172(292)260-217(273)311)425-446(340,341)390-64-103-133(153(372-30)198(411-103)280-73-235-113-161(280)243-204(226)249-178(113)298)431-451(350,351)388-61-100-129(149(368-26)194(408-100)275-68-230-108-155(221)228-67-229-156(108)275)428-450(348,349)392-62-101-130(150(369-27)195(409-101)277-70-232-110-158(277)240-201(223)246-175(110)295)427-434(316,317)375-47-86-115(282)135(354-12)180(394-86)276-69-231-109-157(276)239-200(222)245-174(109)294)90(398-183)51-378-439(326,327)418-120-92(400-185(140(120)359-17)266-38-77(3)165(285)253-210(266)304)53-380-440(328,329)419-121-93(401-186(141(121)360-18)267-39-78(4)166(286)254-211(267)305)54-381-441(330,331)420-122-94(402-187(142(122)361-19)268-40-79(5)167(287)255-212(268)306)55-382-445(338,339)424-126-99(407-191(146(126)365-23)272-44-83(9)171(291)259-216(272)310)60-387-449(346,347)430-132-105(413-197(152(132)371-29)279-72-234-112-160(279)242-203(225)248-177(112)297)66-393-452(352,353)432-134-104(412-199(154(134)373-31)281-74-236-114-162(281)244-205(227)250-179(114)299)65-391-447(342,343)426-128-97(405-193(148(128)367-25)274-46-85(11)173(293)261-218(274)312)58-385-443(334,335)422-124-95(403-189(144(124)363-21)270-42-81(7)169(289)257-214(270)308)56-383-444(336,337)423-125-98(406-190(145(125)364-22)271-43-82(8)170(290)258-215(271)309)59-386-448(344,345)429-131-102(410-196(151(131)370-28)278-71-233-111-159(278)241-202(224)247-176(111)296)63-389-435(318,319)414-116-87(48-374-433(313,314)315)395-181(136(116)355-13)262-34-32-106(219)237-206(262)300/h32-46,67-74,86-105,115-154,180-199,282H,47-66H2,1-31H3,(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)(H2,219,237,300)(H2,220,238,301)(H2,221,228,229)(H,251,283,302)(H,252,284,303)(H,253,285,304)(H,254,286,305)(H,255,287,306)(H,256,288,307)(H,257,289,308)(H,258,290,309)(H,259,291,310)(H,260,292,311)(H,261,293,312)(H2,313,314,315)(H3,222,239,245,294)(H3,223,240,246,295)(H3,224,241,247,296)(H3,225,242,248,297)(H3,226,243,249,298)(H3,227,244,250,299)
- InChIKey
- SHUKIXOIHLNODG-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[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-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6829.2013 | 311.5 |
[M+Na]+ | 6851.1832 | 311.5 |
[M-H]- | 6827.1867 | 311.5 |
[M+NH4]+ | 6846.2278 | 311.5 |
[M+K]+ | 6867.1572 | 311.5 |
[M+H-H2O]+ | 6811.1913 | 311.5 |
[M+HCOO]- | 6873.1922 | 311.5 |
[M+CH3COO]- | 6887.2079 | 311.5 |
[M+Na-2H]- | 6849.1687 | 311.5 |
[M]+ | 6828.1935 | 311.5 |
[M]- | 6828.1945 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.