CID 16130802
T g a g g t t t a g g a t t c g t g c t (2'-o-methyl)
Structural Information
- Molecular Formula
- C218H290N72O146P20
- 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=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)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=NC2=C1N=C(NC2=O)N)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=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=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)O)O)OC
- InChI
- InChI=1S/C218H290N72O146P20/c1-74-33-273(211(309)263-167(74)292)182-134(358-9)114(291)82(398-182)41-379-438(320,321)419-116-84(399-183(135(116)359-10)271-31-29-102(219)247-209(271)307)43-381-447(338,339)430-127-97(413-195(147(127)371-22)284-67-240-107-160(284)249-202(224)256-175(107)300)56-393-446(336,337)426-123-91(407-191(143(123)367-18)280-40-81(8)174(299)270-218(280)316)50-387-449(342,343)431-128-96(412-196(148(128)372-23)285-68-241-108-161(285)250-203(225)257-176(108)301)55-392-440(324,325)420-117-85(400-184(136(117)360-11)272-32-30-103(220)248-210(272)308)44-380-441(326,327)421-118-86(402-186(138(118)362-13)275-35-76(3)169(294)265-213(275)311)45-382-443(330,331)423-120-89(405-188(140(120)364-15)277-37-78(5)171(296)267-215(277)313)48-385-448(340,341)427-124-93(409-192(144(124)368-19)281-64-237-104-154(221)231-61-234-157(104)281)52-389-454(352,353)434-131-101(417-199(151(131)375-26)288-71-244-111-164(288)253-206(228)260-179(111)304)60-397-456(356,357)436-133-98(414-201(153(133)377-28)290-73-246-113-166(290)255-208(230)262-181(113)306)57-394-451(346,347)428-125-92(408-193(145(125)369-20)282-65-238-105-155(222)232-62-235-158(105)282)51-388-445(334,335)425-122-88(404-190(142(122)366-17)279-39-80(7)173(298)269-217(279)315)47-384-442(328,329)422-119-87(403-187(139(119)363-14)276-36-77(4)170(295)266-214(276)312)46-383-444(332,333)424-121-90(406-189(141(121)365-16)278-38-79(6)172(297)268-216(278)314)49-386-450(344,345)432-129-100(416-197(149(129)373-24)286-69-242-109-162(286)251-204(226)258-177(109)302)59-396-455(354,355)435-132-99(415-200(152(132)376-27)289-72-245-112-165(289)254-207(229)261-180(112)305)58-395-452(348,349)429-126-94(410-194(146(126)370-21)283-66-239-106-156(223)233-63-236-159(106)283)53-390-453(350,351)433-130-95(411-198(150(130)374-25)287-70-243-110-163(287)252-205(227)259-178(110)303)54-391-439(322,323)418-115-83(42-378-437(317,318)319)401-185(137(115)361-12)274-34-75(2)168(293)264-212(274)310/h29-40,61-73,82-101,114-153,182-201,291H,41-60H2,1-28H3,(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)(H,356,357)(H2,219,247,307)(H2,220,248,308)(H2,221,231,234)(H2,222,232,235)(H2,223,233,236)(H,263,292,309)(H,264,293,310)(H,265,294,311)(H,266,295,312)(H,267,296,313)(H,268,297,314)(H,269,298,315)(H,270,299,316)(H2,317,318,319)(H3,224,249,256,300)(H3,225,250,257,301)(H3,226,251,258,302)(H3,227,252,259,303)(H3,228,253,260,304)(H3,229,254,261,305)(H3,230,255,262,306)
- InChIKey
- VSBREJGPGWFMKX-UHFFFAOYSA-N
- Compound name
- [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-[[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-[[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-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-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-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-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-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl [4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6872.2303 | 311.5 |
[M+Na]+ | 6894.2122 | 311.5 |
[M-H]- | 6870.2157 | 311.5 |
[M+NH4]+ | 6889.2568 | 311.5 |
[M+K]+ | 6910.1862 | 311.5 |
[M+H-H2O]+ | 6854.2203 | 311.5 |
[M+HCOO]- | 6916.2212 | 311.5 |
[M+CH3COO]- | 6930.2369 | 311.5 |
[M+Na-2H]- | 6892.1977 | 311.5 |
[M]+ | 6871.2225 | 311.5 |
[M]- | 6871.2235 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.