CID 16130769
T c c t g g a g g c t g c a c g a c a c (2'-o-methyl)
Structural Information
- Molecular Formula
- C213H285N77O140P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)OC)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)OC)OP(=O)(O)OCC7C(C(C(O7)N8C=C(C(=O)NC8=O)C)OC)OP(=O)(O)OCC9C(C(C(O9)N1C=NC2=C1N=C(NC2=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=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=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=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=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=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)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/C213H285N77O140P20/c1-75-38-278(211(308)268-169(75)292)185-142(359-11)116(79(399-185)42-372-431(311,312)313)412-433(316,317)374-43-80-117(136(353-5)179(393-80)272-32-25-99(215)250-205(272)302)413-434(318,319)375-44-81-118(137(354-6)180(394-81)273-33-26-100(216)251-206(273)303)414-435(320,321)380-49-86-124(144(361-13)187(400-86)280-40-77(3)171(294)270-213(280)310)420-441(332,333)388-57-94-132(152(369-21)195(408-94)288-72-246-112-166(288)259-201(228)265-175(112)298)429-449(348,349)391-60-97-133(153(370-22)196(411-97)289-73-247-113-167(289)260-202(229)266-176(113)299)428-448(346,347)385-54-91-128(148(365-17)191(405-91)284-68-242-108-158(224)234-64-238-162(108)284)424-446(342,343)389-58-95-134(154(371-23)197(409-95)290-74-248-114-168(290)261-203(230)267-177(114)300)430-450(350,351)390-59-96-130(150(367-19)193(410-96)286-70-244-110-164(286)257-199(226)263-173(110)296)426-445(340,341)378-47-84-119(138(355-7)181(397-84)274-34-27-101(217)252-207(274)304)415-436(322,323)381-50-87-123(143(360-12)186(401-87)279-39-76(2)170(293)269-212(279)309)419-440(330,331)387-56-93-129(149(366-18)192(407-93)285-69-243-109-163(285)256-198(225)262-172(109)295)425-444(338,339)379-48-85-121(140(357-9)183(398-85)276-36-29-103(219)254-209(276)306)417-438(326,327)383-52-89-126(146(363-15)189(403-89)282-66-240-106-156(222)232-62-236-160(106)282)422-442(334,335)377-46-83-122(141(358-10)184(396-83)277-37-30-104(220)255-210(277)307)418-439(328,329)386-55-92-131(151(368-20)194(406-92)287-71-245-111-165(287)258-200(227)264-174(111)297)427-447(344,345)384-53-90-127(147(364-16)190(404-90)283-67-241-107-157(223)233-63-237-161(107)283)423-443(336,337)376-45-82-120(139(356-8)182(395-82)275-35-28-102(218)253-208(275)305)416-437(324,325)382-51-88-125(145(362-14)188(402-88)281-65-239-105-155(221)231-61-235-159(105)281)421-432(314,315)373-41-78-115(291)135(352-4)178(392-78)271-31-24-98(214)249-204(271)301/h24-40,61-74,78-97,115-154,178-197,291H,41-60H2,1-23H3,(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)(H,350,351)(H2,214,249,301)(H2,215,250,302)(H2,216,251,303)(H2,217,252,304)(H2,218,253,305)(H2,219,254,306)(H2,220,255,307)(H2,221,231,235)(H2,222,232,236)(H2,223,233,237)(H2,224,234,238)(H,268,292,308)(H,269,293,309)(H,270,294,310)(H2,311,312,313)(H3,225,256,262,295)(H3,226,257,263,296)(H3,227,258,264,297)(H3,228,259,265,298)(H3,229,260,266,299)(H3,230,261,267,300)
- InChIKey
- OWENRLPNGYKCIM-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-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)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-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]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-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-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-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] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[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]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]+ | 6781.2373 | 311.5 |
[M+Na]+ | 6803.2192 | 311.5 |
[M-H]- | 6779.2227 | 311.5 |
[M+NH4]+ | 6798.2638 | 311.5 |
[M+K]+ | 6819.1932 | 311.5 |
[M+H-H2O]+ | 6763.2273 | 311.5 |
[M+HCOO]- | 6825.2282 | 311.5 |
[M+CH3COO]- | 6839.2439 | 311.5 |
[M+Na-2H]- | 6801.2047 | 311.5 |
[M]+ | 6780.2295 | 311.5 |
[M]- | 6780.2305 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.