CID 16130805
A t t t g t t g t t g a t t g g t g c t (2'-o-methyl)
Structural Information
- Molecular Formula
- C219H293N65O150P20
- 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=NC7=C6N=C(NC7=O)N)COP(=O)(O)OC8C(OC(C8OC)N9C=C(C(=O)NC9=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=NC2=C(N=CN=C21)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=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=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=C(N=CN=C21)N)COP(=O)(O)O)O)OC
- InChI
- InChI=1S/C219H293N65O150P20/c1-75-34-266(209(304)254-165(75)286)182-135(356-12)115(285)86(396-182)45-377-436(318,319)417-117-88(397-183(136(117)357-13)265-33-32-106(220)241-208(265)303)47-378-448(342,343)429-129-100(410-196(149(129)370-26)279-69-235-109-159(279)242-202(223)248-176(109)297)59-390-447(340,341)427-127-98(407-193(146(127)367-23)276-44-85(11)175(296)264-219(276)314)57-388-452(350,351)432-132-105(415-199(152(132)373-29)282-72-238-112-162(282)245-205(226)251-179(112)300)64-395-454(354,355)434-134-104(414-201(154(134)375-31)284-74-240-114-164(284)247-207(228)253-181(114)302)63-394-446(338,339)426-126-92(401-192(145(126)366-22)275-43-84(10)174(295)263-218(275)313)51-382-440(326,327)420-120-95(404-186(139(120)360-16)269-37-78(4)168(289)257-212(269)307)54-385-449(344,345)428-128-99(409-195(148(128)369-25)278-68-234-108-156(222)230-66-232-158(108)278)58-389-453(352,353)433-133-103(413-200(153(133)374-30)283-73-239-113-163(283)246-206(227)252-180(113)301)62-393-445(336,337)425-125-94(403-191(144(125)365-21)274-42-83(9)173(294)262-217(274)312)53-384-442(330,331)422-122-97(406-188(141(122)362-18)271-39-80(6)170(291)259-214(271)309)56-387-451(348,349)431-131-102(412-198(151(131)372-28)281-71-237-111-161(281)244-204(225)250-178(111)299)61-392-444(334,335)424-124-93(402-190(143(124)364-20)273-41-82(8)172(293)261-216(273)311)52-383-441(328,329)421-121-96(405-187(140(121)361-17)270-38-79(5)169(290)258-213(270)308)55-386-450(346,347)430-130-101(411-197(150(130)371-27)280-70-236-110-160(280)243-203(224)249-177(110)298)60-391-443(332,333)423-123-91(400-189(142(123)363-19)272-40-81(7)171(292)260-215(272)310)50-381-439(324,325)419-119-90(399-185(138(119)359-15)268-36-77(3)167(288)256-211(268)306)49-380-438(322,323)418-118-89(398-184(137(118)358-14)267-35-76(2)166(287)255-210(267)305)48-379-437(320,321)416-116-87(46-376-435(315,316)317)408-194(147(116)368-24)277-67-233-107-155(221)229-65-231-157(107)277/h32-44,65-74,86-105,115-154,182-201,285H,45-64H2,1-31H3,(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)(H,354,355)(H2,220,241,303)(H2,221,229,231)(H2,222,230,232)(H,254,286,304)(H,255,287,305)(H,256,288,306)(H,257,289,307)(H,258,290,308)(H,259,291,309)(H,260,292,310)(H,261,293,311)(H,262,294,312)(H,263,295,313)(H,264,296,314)(H2,315,316,317)(H3,223,242,248,297)(H3,224,243,249,298)(H3,225,244,250,299)(H3,226,245,251,300)(H3,227,246,252,301)(H3,228,247,253,302)
- InChIKey
- FAHZBISVXLEFDH-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[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-[[5-(2-amino-6-oxo-1H-purin-9-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-methoxyoxolan-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-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-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-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]methyl [5-(6-aminopurin-9-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]+ | 6853.2123 | 311.5 |
[M+Na]+ | 6875.1942 | 311.5 |
[M-H]- | 6851.1977 | 311.5 |
[M+NH4]+ | 6870.2388 | 311.5 |
[M+K]+ | 6891.1682 | 311.5 |
[M+H-H2O]+ | 6835.2023 | 311.5 |
[M+HCOO]- | 6897.2032 | 311.5 |
[M+CH3COO]- | 6911.2189 | 311.5 |
[M+Na-2H]- | 6873.1797 | 311.5 |
[M]+ | 6852.2045 | 311.5 |
[M]- | 6852.2055 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.