CID 16130767
G a c g c t t t c t g c g t g a a g a c (2'-o-methyl)
Structural Information
- Molecular Formula
- C215H287N75O142P20
- 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=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=C1N=C(NC2=O)N)COP(=O)(O)O)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=C(C(=O)NC1=O)C)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=C1N=C(NC2=O)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=NC2=C1N=C(NC2=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=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
- InChI
- InChI=1S/C215H287N75O142P20/c1-75-36-276(211(308)266-169(75)292)185-140(359-11)121(88(401-185)49-382-442(332,333)421-123-89(402-187(142(123)361-13)278-38-77(3)171(294)268-213(278)310)50-383-441(330,331)420-122-86(399-186(141(122)360-12)277-37-76(2)170(293)267-212(277)309)47-380-437(322,323)416-118-84(397-182(137(118)356-8)273-33-28-102(218)251-208(273)305)45-378-446(340,341)428-130-95(409-195(150(130)369-21)286-70-244-110-164(286)255-201(226)261-175(110)298)56-389-438(324,325)417-119-83(396-183(138(119)357-9)274-34-29-103(219)252-209(274)306)44-377-445(338,339)425-127-92(406-191(146(127)365-17)282-66-240-106-156(222)232-62-236-160(106)282)53-385-435(318,319)414-116-81(42-374-433(313,314)315)404-194(149(116)368-20)285-69-243-109-163(285)254-200(225)260-174(109)297)419-440(328,329)376-43-82-117(136(355-7)181(395-82)272-32-27-101(217)250-207(272)304)415-436(320,321)381-48-87-124(143(362-14)188(400-87)279-39-78(4)172(295)269-214(279)311)422-443(334,335)391-58-97-131(151(370-22)196(411-97)287-71-245-111-165(287)256-202(227)262-176(111)299)429-447(342,343)379-46-85-120(139(358-10)184(398-85)275-35-30-104(220)253-210(275)307)418-439(326,327)390-57-96-132(152(371-23)197(410-96)288-72-246-112-166(288)257-203(228)263-177(112)300)430-448(344,345)384-51-90-125(144(363-15)189(403-90)280-40-79(5)173(296)270-215(280)312)423-444(336,337)392-59-98-133(153(372-24)198(412-98)289-73-247-113-167(289)258-204(229)264-178(113)301)431-452(352,353)388-55-94-128(147(366-18)192(408-94)283-67-241-107-157(223)233-63-237-161(107)283)426-449(346,347)386-54-93-129(148(367-19)193(407-93)284-68-242-108-158(224)234-64-238-162(108)284)427-450(348,349)393-60-99-134(154(373-25)199(413-99)290-74-248-114-168(290)259-205(230)265-179(114)302)432-451(350,351)387-52-91-126(145(364-16)190(405-91)281-65-239-105-155(221)231-61-235-159(105)281)424-434(316,317)375-41-80-115(291)135(354-6)180(394-80)271-31-26-100(216)249-206(271)303/h26-40,61-74,80-99,115-154,180-199,291H,41-60H2,1-25H3,(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)(H,350,351)(H,352,353)(H2,216,249,303)(H2,217,250,304)(H2,218,251,305)(H2,219,252,306)(H2,220,253,307)(H2,221,231,235)(H2,222,232,236)(H2,223,233,237)(H2,224,234,238)(H,266,292,308)(H,267,293,309)(H,268,294,310)(H,269,295,311)(H,270,296,312)(H2,313,314,315)(H3,225,254,260,297)(H3,226,255,261,298)(H3,227,256,262,299)(H3,228,257,263,300)(H3,229,258,264,301)(H3,230,259,265,302)
- InChIKey
- CFMQZXMLJSXBSB-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[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)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-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]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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-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]+ | 6811.2368 | 311.5 |
[M+Na]+ | 6833.2187 | 311.5 |
[M-H]- | 6809.2222 | 311.5 |
[M+NH4]+ | 6828.2633 | 311.5 |
[M+K]+ | 6849.1927 | 311.5 |
[M+H-H2O]+ | 6793.2268 | 311.5 |
[M+HCOO]- | 6855.2277 | 311.5 |
[M+CH3COO]- | 6869.2434 | 311.5 |
[M+Na-2H]- | 6831.2042 | 311.5 |
[M]+ | 6810.2290 | 311.5 |
[M]- | 6810.2300 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.