CID 16130764
C c c c c a a t c g g g g g c t g g c (2'-o-methyl)
Structural Information
- Molecular Formula
- C202H272N73O133P19
- SMILES
- CCC1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OC4C(OC(C4OC)N5C=NC6=C5N=C(NC6=O)N)COP(=O)(O)OC7C(OC(C7OC)N8C=NC9=C8N=C(NC9=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=NC2=C(N=CN=C21)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=CC(=NC1=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=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=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O
- InChI
- InChI=1S/C202H272N73O133P19/c1-22-73-111(391-410(299,300)356-52-87-124(142(348-17)181(385-87)271-66-228-105-153(271)243-188(215)250-162(105)281)405-425(329,330)371-59-92-126(144(350-19)183(390-92)273-68-230-107-155(273)245-190(217)252-164(107)283)406-422(323,324)362-49-82-116(134(340-9)173(380-82)262-36-28-98(208)238-198(262)291)396-417(313,314)363-50-83-120(138(344-13)177(381-83)266-40-72(3)159(278)256-202(266)295)400-421(321,322)368-57-91-128(146(352-21)185(389-91)275-70-232-109-157(275)247-192(219)254-166(109)285)408-426(331,332)369-55-88-123(141(347-16)180(386-88)270-65-227-104-152(270)242-187(214)249-161(104)280)401-411(301,302)354-41-74-110(276)129(335-4)168(372-74)257-31-23-93(203)233-193(257)286)75(373-167(73)269-64-226-103-151(269)241-186(213)248-160(103)279)43-355-412(303,304)404-125-89(387-182(143(125)349-18)272-67-229-106-154(272)244-189(216)251-163(106)282)58-370-427(333,334)407-127-90(388-184(145(127)351-20)274-69-231-108-156(274)246-191(218)253-165(108)284)56-367-419(317,318)398-118-81(379-175(136(118)342-11)264-38-30-100(210)240-200(264)293)48-361-420(319,320)399-119-84(382-176(137(119)343-12)265-39-71(2)158(277)255-201(265)294)51-364-423(325,326)402-121-86(384-178(139(121)345-14)267-62-224-101-147(211)220-60-222-149(101)267)54-366-424(327,328)403-122-85(383-179(140(122)346-15)268-63-225-102-148(212)221-61-223-150(102)268)53-365-418(315,316)397-117-80(378-174(135(117)341-10)263-37-29-99(209)239-199(263)292)47-360-416(311,312)395-115-79(377-172(133(115)339-8)261-35-27-97(207)237-197(261)290)46-359-415(309,310)394-114-78(376-171(132(114)338-7)260-34-26-96(206)236-196(260)289)45-358-414(307,308)393-113-77(375-170(131(113)337-6)259-33-25-95(205)235-195(259)288)44-357-413(305,306)392-112-76(42-353-409(296,297)298)374-169(130(112)336-5)258-32-24-94(204)234-194(258)287/h23-40,60-70,73-92,110-146,167-185,276H,22,41-59H2,1-21H3,(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(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)(H2,203,233,286)(H2,204,234,287)(H2,205,235,288)(H2,206,236,289)(H2,207,237,290)(H2,208,238,291)(H2,209,239,292)(H2,210,240,293)(H2,211,220,222)(H2,212,221,223)(H,255,277,294)(H,256,278,295)(H2,296,297,298)(H3,213,241,248,279)(H3,214,242,249,280)(H3,215,243,250,281)(H3,216,244,251,282)(H3,217,245,252,283)(H3,218,246,253,284)(H3,219,247,254,285)
- InChIKey
- YDFVYMZZXOIKJU-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-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]-5-(6-aminopurin-9-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]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-ethyloxolan-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]-4-methoxyoxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6437.1850 | 311.5 |
[M+Na]+ | 6459.1669 | 311.5 |
[M-H]- | 6435.1704 | 311.5 |
[M+NH4]+ | 6454.2115 | 311.5 |
[M+K]+ | 6475.1409 | 311.5 |
[M+H-H2O]+ | 6419.1750 | 311.5 |
[M+HCOO]- | 6481.1759 | 311.5 |
[M+CH3COO]- | 6495.1916 | 311.5 |
[M+Na-2H]- | 6457.1524 | 311.5 |
[M]+ | 6436.1772 | 311.5 |
[M]- | 6436.1782 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.