CID 16130789
T t c t t t g a g g t t t a g g a t t c (2'-o-methyl)
Structural Information
- Molecular Formula
- C218H292N66O148P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=C(C(=O)NC4=O)C)OC)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)OC)OP(=O)(O)OCC7C(C(C(O7)N8C=C(C(=O)NC8=O)C)OC)OP(=O)(O)OCC9C(C(C(O9)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)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=C(C(=O)NC1=O)C)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)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)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=CC(=NC1=O)N)OC)O)OC
- InChI
- InChI=1S/C218H292N66O148P20/c1-76-35-267(209(303)255-167(76)286)184-138(356-13)117(87(396-184)46-374-433(313,314)315)414-435(318,319)377-49-90-120(140(358-15)186(398-90)269-37-78(3)169(288)257-211(269)305)417-437(322,323)376-47-88-118(137(355-12)183(395-88)266-34-32-107(220)244-208(266)302)415-436(320,321)378-50-91-121(141(359-16)187(399-91)270-38-79(4)170(289)258-212(270)306)418-439(326,327)380-51-92-122(142(360-17)188(400-92)271-39-80(5)171(290)259-213(271)307)420-441(330,331)383-54-95-127(147(365-22)193(403-95)276-44-85(10)176(295)264-218(276)312)424-444(336,337)389-60-101-132(152(370-27)198(409-101)281-72-239-112-163(281)246-203(225)251-178(112)297)429-449(346,347)388-59-100-130(150(368-25)196(408-100)279-70-237-110-158(223)231-67-234-161(110)279)427-448(344,345)391-62-103-134(154(372-29)200(411-103)283-74-241-114-165(283)248-205(227)253-180(114)299)431-451(350,351)392-63-104-131(151(369-26)197(412-104)280-71-238-111-162(280)245-202(224)250-177(111)296)428-446(340,341)385-56-97-125(145(363-20)191(405-97)274-42-83(8)174(293)262-216(274)310)422-442(332,333)381-52-93-123(143(361-18)189(401-93)272-40-81(6)172(291)260-214(272)308)419-440(328,329)382-53-94-126(146(364-21)192(402-94)275-43-84(9)175(294)263-217(275)311)423-443(334,335)386-57-98-129(149(367-24)195(406-98)278-69-236-109-157(222)230-66-233-160(109)278)426-447(342,343)390-61-102-135(155(373-30)201(410-102)284-75-242-115-166(284)249-206(228)254-181(115)300)432-452(352,353)393-64-105-133(153(371-28)199(413-105)282-73-240-113-164(282)247-204(226)252-179(113)298)430-450(348,349)387-58-99-128(148(366-23)194(407-99)277-68-235-108-156(221)229-65-232-159(108)277)425-445(338,339)384-55-96-124(144(362-19)190(404-96)273-41-82(7)173(292)261-215(273)309)421-438(324,325)379-48-89-119(139(357-14)185(397-89)268-36-77(2)168(287)256-210(268)304)416-434(316,317)375-45-86-116(285)136(354-11)182(394-86)265-33-31-106(219)243-207(265)301/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
- DXGBPVYBVALTGM-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-[[[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-[[[2-[[[2-[[[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-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]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-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-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-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-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]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.