CID 16130774
C c g g t t c c g c a g a c c a c t a t (2'-o-methyl)
Structural Information
- Molecular Formula
- C212H286N72O141P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OC6C(OC(C6OC)N7C=C(C(=O)NC7=O)C)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=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=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=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)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=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)O)O)OC
- InChI
- InChI=1S/C212H286N72O141P20/c1-77-41-273(209(302)261-169(77)286)177-137(347-5)117(285)81(387-177)45-368-427(309,310)418-129-93(399-189(149(129)359-17)277-69-237-109-157(221)229-65-233-161(109)277)57-381-438(331,332)417-128-90(396-188(148(128)358-16)276-44-80(4)172(289)264-212(276)305)54-376-431(317,318)410-121-88(394-181(141(121)351-9)268-36-28-104(216)248-204(268)297)52-374-439(333,334)419-130-94(400-190(150(130)360-18)278-70-238-110-158(222)230-66-234-162(110)278)58-379-432(319,320)411-123-84(390-183(143(123)353-11)270-38-30-106(218)250-206(270)299)48-370-430(315,316)409-120-87(393-180(140(120)350-8)267-35-27-103(215)247-203(267)296)51-373-440(335,336)420-131-96(402-191(151(131)361-19)279-71-239-111-159(223)231-67-235-163(111)279)60-382-444(343,344)424-136-99(405-196(156(136)366-24)284-76-244-116-168(284)256-200(228)260-176(116)293)63-385-443(341,342)421-132-95(401-192(152(132)362-20)280-72-240-112-160(224)232-68-236-164(112)280)59-380-433(321,322)412-125-89(395-185(145(125)355-13)272-40-32-108(220)252-208(272)301)53-375-441(337,338)422-133-97(403-193(153(133)363-21)281-73-241-113-165(281)253-197(225)257-173(113)290)61-383-435(325,326)414-124-85(391-184(144(124)354-12)271-39-31-107(219)251-207(271)300)49-371-429(313,314)408-119-86(392-179(139(119)349-7)266-34-26-102(214)246-202(266)295)50-372-436(327,328)415-126-91(397-186(146(126)356-14)274-42-78(2)170(287)262-210(274)303)55-377-437(329,330)416-127-92(398-187(147(127)357-15)275-43-79(3)171(288)263-211(275)304)56-378-442(339,340)423-134-100(406-194(154(134)364-22)282-74-242-114-166(282)254-198(226)258-174(114)291)64-386-445(345,346)425-135-98(404-195(155(135)365-23)283-75-243-115-167(283)255-199(227)259-175(115)292)62-384-434(323,324)413-122-83(389-182(142(122)352-10)269-37-29-105(217)249-205(269)298)47-369-428(311,312)407-118-82(46-367-426(306,307)308)388-178(138(118)348-6)265-33-25-101(213)245-201(265)294/h25-44,65-76,81-100,117-156,177-196,285H,45-64H2,1-24H3,(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H2,213,245,294)(H2,214,246,295)(H2,215,247,296)(H2,216,248,297)(H2,217,249,298)(H2,218,250,299)(H2,219,251,300)(H2,220,252,301)(H2,221,229,233)(H2,222,230,234)(H2,223,231,235)(H2,224,232,236)(H,261,286,302)(H,262,287,303)(H,263,288,304)(H,264,289,305)(H2,306,307,308)(H3,225,253,257,290)(H3,226,254,258,291)(H3,227,255,259,292)(H3,228,256,260,293)
- InChIKey
- KRINTESOFRLIHS-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-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(6-aminopurin-9-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-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-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-(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-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-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]+ | 6716.2246 | 311.5 |
[M+Na]+ | 6738.2065 | 311.5 |
[M-H]- | 6714.2100 | 311.5 |
[M+NH4]+ | 6733.2511 | 311.5 |
[M+K]+ | 6754.1805 | 311.5 |
[M+H-H2O]+ | 6698.2146 | 311.5 |
[M+HCOO]- | 6760.2155 | 311.5 |
[M+CH3COO]- | 6774.2312 | 311.5 |
[M+Na-2H]- | 6736.1920 | 311.5 |
[M]+ | 6715.2168 | 311.5 |
[M]- | 6715.2178 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.