CID 16130778
G c c t t t c g c g a c c c a a c a c t (2'-o-methyl)
Structural Information
- Molecular Formula
- C211H286N70O141P20
- 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=C(N=CN=C76)N)COP(=O)(O)OC8C(OC(C8OC)N9C=CC(=NC9=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)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=CC(=NC1=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=CC(=NC1=O)N)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=C(C(=O)NC1=O)C)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=NC2=C1N=C(NC2=O)N)COP(=O)(O)O)O)OC
- InChI
- InChI=1S/C211H286N70O141P20/c1-78-43-271(208(299)258-169(78)283)176-138(344-5)118(282)82(384-176)47-365-424(306,307)405-120-84(385-177(139(120)345-6)262-34-25-102(212)243-199(262)290)49-371-437(332,333)417-132-96(398-189(151(132)357-18)275-71-236-111-158(221)228-67-232-162(111)275)61-378-431(320,321)411-127-91(392-184(146(127)352-13)269-41-32-109(219)250-206(269)297)56-373-439(336,337)418-133-98(400-190(152(133)358-19)276-72-237-112-159(222)229-68-233-163(112)276)63-380-441(340,341)420-135-97(399-192(154(135)360-21)278-74-239-114-161(224)231-70-235-165(114)278)62-379-430(318,319)410-125-88(389-182(144(125)350-11)267-39-30-107(217)248-204(267)295)53-369-427(312,313)407-122-86(387-179(141(122)347-8)264-36-27-104(214)245-201(264)292)51-367-428(314,315)408-123-90(391-180(142(123)348-9)265-37-28-105(215)246-202(265)293)55-372-438(334,335)419-134-99(401-191(153(134)359-20)277-73-238-113-160(223)230-69-234-164(113)277)64-381-442(342,343)422-137-101(403-195(157(137)363-24)281-77-242-117-168(281)254-198(227)257-175(117)289)66-383-433(324,325)413-128-92(393-185(147(128)353-14)270-42-33-110(220)251-207(270)298)57-374-440(338,339)421-136-100(402-194(156(136)362-23)280-76-241-116-167(280)253-197(226)256-174(116)288)65-382-432(322,323)412-126-89(390-183(145(126)351-12)268-40-31-108(218)249-205(268)296)54-370-434(326,327)414-129-94(395-186(148(129)354-15)272-44-79(2)170(284)259-209(272)300)59-376-436(330,331)416-131-95(396-188(150(131)356-17)274-46-81(4)172(286)261-211(274)302)60-377-435(328,329)415-130-93(394-187(149(130)355-16)273-45-80(3)171(285)260-210(273)301)58-375-429(316,317)409-124-87(388-181(143(124)349-10)266-38-29-106(216)247-203(266)294)52-368-426(310,311)406-121-85(386-178(140(121)346-7)263-35-26-103(213)244-200(263)291)50-366-425(308,309)404-119-83(48-364-423(303,304)305)397-193(155(119)361-22)279-75-240-115-166(279)252-196(225)255-173(115)287/h25-46,67-77,82-101,118-157,176-195,282H,47-66H2,1-24H3,(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(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)(H2,212,243,290)(H2,213,244,291)(H2,214,245,292)(H2,215,246,293)(H2,216,247,294)(H2,217,248,295)(H2,218,249,296)(H2,219,250,297)(H2,220,251,298)(H2,221,228,232)(H2,222,229,233)(H2,223,230,234)(H2,224,231,235)(H,258,283,299)(H,259,284,300)(H,260,285,301)(H,261,286,302)(H2,303,304,305)(H3,225,252,255,287)(H3,226,253,256,288)(H3,227,254,257,289)
- InChIKey
- RAQDVYSBRWRCBT-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-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-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[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-5-(6-aminopurin-9-yl)-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-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-4-methoxyoxolan-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]+ | 6676.2187 | 311.5 |
| [M+Na]+ | 6698.2006 | 311.5 |
| [M-H]- | 6674.2041 | 311.5 |
| [M+NH4]+ | 6693.2452 | 311.5 |
| [M+K]+ | 6714.1746 | 311.5 |
| [M+H-H2O]+ | 6658.2087 | 311.5 |
| [M+HCOO]- | 6720.2096 | 311.5 |
| [M+CH3COO]- | 6734.2253 | 311.5 |
| [M+Na-2H]- | 6696.1861 | 311.5 |
| [M]+ | 6675.2109 | 311.5 |
| [M]- | 6675.2119 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.