CID 16130780
C c g g g g c a c t c g c a a g c a c c (2'-o-methyl)
Structural Information
- Molecular Formula
- C211H283N79O138P20
- 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=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=NC2=C1N=C(NC2=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)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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=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=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=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=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
- InChI
- InChI=1S/C211H283N79O138P20/c1-75-40-280(211(308)270-169(75)292)185-144(359-11)124(85(399-185)50-379-432(316,317)412-118-81(395-179(138(118)353-5)274-34-25-99(215)252-205(274)302)46-375-440(332,333)420-126-87(401-187(146(126)361-13)282-66-240-106-156(222)232-62-236-160(106)282)52-381-434(320,321)414-122-84(398-183(142(122)357-9)278-38-29-103(219)256-209(278)306)49-378-443(338,339)425-131-93(407-192(151(131)366-18)287-71-245-111-165(287)260-198(227)266-172(111)295)58-387-447(346,347)427-133-95(409-194(153(133)368-20)289-73-247-113-167(289)262-200(229)268-174(113)297)60-389-448(348,349)428-134-94(408-195(154(134)369-21)290-74-248-114-168(290)263-201(230)269-175(114)298)59-388-446(344,345)426-132-91(405-193(152(132)367-19)288-72-246-112-166(288)261-199(228)267-173(112)296)56-385-436(324,325)416-119-79(393-180(139(119)354-6)275-35-26-100(216)253-206(275)303)44-372-431(314,315)410-116-77(42-370-429(309,310)311)391-177(136(116)351-3)272-32-23-97(213)250-203(272)300)418-438(328,329)373-45-80-120(140(355-7)181(394-80)276-36-27-101(217)254-207(276)304)417-437(326,327)384-55-90-129(149(364-16)190(404-90)285-69-243-109-163(285)258-196(225)264-170(109)293)423-441(334,335)376-47-82-123(143(358-10)184(396-82)279-39-30-104(220)257-210(279)307)415-435(322,323)382-53-88-127(147(362-14)188(402-88)283-67-241-107-157(223)233-63-237-161(107)283)421-444(340,341)383-54-89-128(148(363-15)189(403-89)284-68-242-108-158(224)234-64-238-162(108)284)422-445(342,343)386-57-92-130(150(365-17)191(406-92)286-70-244-110-164(286)259-197(226)265-171(110)294)424-442(336,337)377-48-83-121(141(356-8)182(397-83)277-37-28-102(218)255-208(277)305)413-433(318,319)380-51-86-125(145(360-12)186(400-86)281-65-239-105-155(221)231-61-235-159(105)281)419-439(330,331)374-43-78-117(137(352-4)178(392-78)273-33-24-98(214)251-204(273)301)411-430(312,313)371-41-76-115(291)135(350-2)176(390-76)271-31-22-96(212)249-202(271)299/h22-40,61-74,76-95,115-154,176-195,291H,41-60H2,1-21H3,(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)(H,344,345)(H,346,347)(H,348,349)(H2,212,249,299)(H2,213,250,300)(H2,214,251,301)(H2,215,252,302)(H2,216,253,303)(H2,217,254,304)(H2,218,255,305)(H2,219,256,306)(H2,220,257,307)(H2,221,231,235)(H2,222,232,236)(H2,223,233,237)(H2,224,234,238)(H,270,292,308)(H2,309,310,311)(H3,225,258,264,293)(H3,226,259,265,294)(H3,227,260,266,295)(H3,228,261,267,296)(H3,229,262,268,297)(H3,230,263,269,298)
- InChIKey
- LTESATWMRUWVBD-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[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-(4-amino-2-oxopyrimidin-1-yl)-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-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-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-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]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-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-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-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]+ | 6751.2383 | 311.5 |
[M+Na]+ | 6773.2202 | 311.5 |
[M-H]- | 6749.2237 | 311.5 |
[M+NH4]+ | 6768.2648 | 311.5 |
[M+K]+ | 6789.1942 | 311.5 |
[M+H-H2O]+ | 6733.2283 | 311.5 |
[M+HCOO]- | 6795.2292 | 311.5 |
[M+CH3COO]- | 6809.2449 | 311.5 |
[M+Na-2H]- | 6771.2057 | 311.5 |
[M]+ | 6750.2305 | 311.5 |
[M]- | 6750.2315 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.