CID 16130799
T a c g t t t c t a t g t c g a t g g g (2'-o-methyl)
Structural Information
- Molecular Formula
- C217H290N70O146P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OC)OP(=O)(O)OCC6C(C(C(O6)N7C=CC(=NC7=O)N)OC)OP(=O)(O)OCC8C(C(C(O8)N9C=NC1=C9N=C(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=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=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=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=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=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=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)O)OC
- InChI
- InChI=1S/C217H290N70O146P20/c1-75-35-271(210(306)260-167(75)289)185-139(359-13)116(84(399-185)44-375-434(314,315)316)415-436(319,320)387-55-95-127(147(367-21)193(407-95)279-66-236-106-155(221)230-63-233-158(106)279)427-447(341,342)379-47-87-119(138(358-12)184(398-87)270-34-31-105(220)247-209(270)305)418-439(325,326)390-59-99-131(151(371-25)197(411-99)284-71-241-111-163(284)250-203(226)256-177(111)299)430-450(347,348)386-54-94-123(143(363-17)189(406-94)275-39-79(5)171(293)264-214(275)310)422-443(333,334)382-50-90-122(142(362-16)188(402-90)274-38-78(4)170(292)263-213(274)309)421-442(331,332)381-49-89-120(140(360-14)186(401-89)272-36-76(2)168(290)261-211(272)307)419-440(327,328)377-45-85-117(136(356-10)182(396-85)268-32-29-103(218)245-207(268)303)416-437(321,322)380-48-88-124(144(364-18)190(400-88)276-40-80(6)172(294)265-215(276)311)423-444(335,336)388-56-96-128(148(368-22)194(408-96)280-67-237-107-156(222)231-64-234-159(107)280)428-448(343,344)383-51-91-125(145(365-19)191(403-91)277-41-81(7)173(295)266-216(277)312)424-445(337,338)392-61-101-132(152(372-26)198(413-101)285-72-242-112-164(285)251-204(227)257-178(112)300)431-451(349,350)385-53-93-121(141(361-15)187(405-93)273-37-77(3)169(291)262-212(273)308)420-441(329,330)378-46-86-118(137(357-11)183(397-86)269-33-30-104(219)246-208(269)304)417-438(323,324)391-60-100-133(153(373-27)199(412-100)286-73-243-113-165(286)252-205(228)258-179(113)301)432-452(351,352)389-57-97-129(149(369-23)195(409-97)281-68-238-108-157(223)232-65-235-160(108)281)429-449(345,346)384-52-92-126(146(366-20)192(404-92)278-42-82(8)174(296)267-217(278)313)425-446(339,340)393-62-102-134(154(374-28)200(414-102)287-74-244-114-166(287)253-206(229)259-180(114)302)433-453(353,354)394-58-98-130(150(370-24)196(410-98)283-70-240-110-162(283)249-202(225)255-176(110)298)426-435(317,318)376-43-83-115(288)135(355-9)181(395-83)282-69-239-109-161(282)248-201(224)254-175(109)297/h29-42,63-74,83-102,115-154,181-200,288H,43-62H2,1-28H3,(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)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H2,218,245,303)(H2,219,246,304)(H2,220,247,305)(H2,221,230,233)(H2,222,231,234)(H2,223,232,235)(H,260,289,306)(H,261,290,307)(H,262,291,308)(H,263,292,309)(H,264,293,310)(H,265,294,311)(H,266,295,312)(H,267,296,313)(H2,314,315,316)(H3,224,248,254,297)(H3,225,249,255,298)(H3,226,250,256,299)(H3,227,251,257,300)(H3,228,252,258,301)(H3,229,253,259,302)
- InChIKey
- SFJSCHPQKNNLAN-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[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-[[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-hydroxy-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-5-(6-aminopurin-9-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-4-methoxyoxolan-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-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-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-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl [4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6832.2246 | 311.5 |
[M+Na]+ | 6854.2065 | 311.5 |
[M-H]- | 6830.2100 | 311.5 |
[M+NH4]+ | 6849.2511 | 311.5 |
[M+K]+ | 6870.1805 | 311.5 |
[M+H-H2O]+ | 6814.2146 | 311.5 |
[M+HCOO]- | 6876.2155 | 311.5 |
[M+CH3COO]- | 6890.2312 | 311.5 |
[M+Na-2H]- | 6852.1920 | 311.5 |
[M]+ | 6831.2168 | 311.5 |
[M]- | 6831.2178 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.