CID 16130797
A c g g g a c a c t c t c c c a t t c c (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=C(C(=O)NC6=O)C)COP(=O)(O)OC7C(OC(C7OC)N8C=CC(=NC8=O)N)COP(=O)(O)OC9C(OC(C9OC)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=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=C1N=C(NC2=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)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
- InChI
- InChI=1S/C211H286N70O141P20/c1-78-43-271(208(299)258-169(78)283)185-147(353-14)128(413-434(326,327)370-53-88-122(141(347-8)179(389-88)265-37-28-105(215)246-202(265)293)407-427(312,313)367-51-86-121(140(346-7)178(387-86)264-36-27-104(214)245-201(264)292)406-426(310,311)368-52-87-126(145(351-12)183(388-87)269-41-32-109(219)250-206(269)297)410-430(318,319)379-62-97-134(154(360-21)192(399-97)278-74-239-114-161(224)231-70-235-165(114)278)419-439(336,337)377-60-95-131(150(356-17)188(396-95)274-46-81(4)172(286)261-211(274)302)416-436(330,331)376-59-94-130(149(355-16)187(395-94)273-45-80(3)171(285)260-210(273)301)415-433(324,325)369-49-84-120(139(345-6)177(385-84)263-35-26-103(213)244-200(263)291)405-424(306,307)365-47-82-118(282)138(344-5)176(384-82)262-34-25-102(212)243-199(262)290)92(393-185)57-374-428(314,315)408-123-89(390-180(142(123)348-9)266-38-29-106(216)247-203(266)294)54-371-435(328,329)414-129-93(394-186(148(129)354-15)272-44-79(2)170(284)259-209(272)300)58-375-429(316,317)409-124-90(391-181(143(124)349-10)267-39-30-107(217)248-204(267)295)55-372-437(332,333)417-132-96(398-190(152(132)358-19)276-72-237-112-159(222)229-68-233-163(112)276)61-378-431(320,321)411-127-91(392-184(146(127)352-13)270-42-33-110(220)251-207(270)298)56-373-438(334,335)418-133-98(400-191(153(133)359-20)277-73-238-113-160(223)230-69-234-164(113)277)63-380-440(338,339)420-136-100(402-194(156(136)362-23)280-76-241-116-167(280)253-197(226)256-174(116)288)65-382-442(342,343)422-137-101(403-195(157(137)363-24)281-77-242-117-168(281)254-198(227)257-175(117)289)66-383-441(340,341)421-135-99(401-193(155(135)361-22)279-75-240-115-166(279)252-196(225)255-173(115)287)64-381-432(322,323)412-125-85(386-182(144(125)350-11)268-40-31-108(218)249-205(268)296)50-366-425(308,309)404-119-83(48-364-423(303,304)305)397-189(151(119)357-18)275-71-236-111-158(221)228-67-232-162(111)275/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
- HUXDQLDSGAXIAT-UHFFFAOYSA-N
- Compound name
- [3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[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-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-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-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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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-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-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-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]+ | 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
No literature data available for this compound.
Patent stripe
No patent data available for this compound.