CID 16728940
5'-r[ucaaaa]-3'
Structural Information
- Molecular Formula
- C58H72N25O37P5
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O)OCC8C(C(C(O8)N9C=NC1=C(N=CN=C19)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)O)O
- InChI
- InChI=1S/C58H72N25O37P5/c59-25-1-3-78(57(93)76-25)53-34(89)39(21(112-53)7-106-122(97,98)116-38-19(5-84)110-52(33(38)88)79-4-2-26(85)77-58(79)94)117-123(99,100)107-9-23-41(36(91)55(114-23)82-17-74-29-45(62)66-13-70-49(29)82)119-125(103,104)109-10-24-42(37(92)56(115-24)83-18-75-30-46(63)67-14-71-50(30)83)120-124(101,102)108-8-22-40(35(90)54(113-22)81-16-73-28-44(61)65-12-69-48(28)81)118-121(95,96)105-6-20-31(86)32(87)51(111-20)80-15-72-27-43(60)64-11-68-47(27)80/h1-4,11-24,31-42,51-56,84,86-92H,5-10H2,(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H2,59,76,93)(H2,60,64,68)(H2,61,65,69)(H2,62,66,70)(H2,63,67,71)(H,77,85,94)
- InChIKey
- ZAGVAUNKLJOFCJ-UHFFFAOYSA-N
- Compound name
- [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1866.3282 | 253.7 |
[M+Na]+ | 1888.3101 | 263.6 |
[M-H]- | 1864.3136 | 252.4 |
[M+NH4]+ | 1883.3547 | 256.4 |
[M+K]+ | 1904.2841 | 261.8 |
[M+H-H2O]+ | 1848.3182 | 251.5 |
[M+HCOO]- | 1910.3191 | 256.9 |
[M+CH3COO]- | 1924.3348 | 258.5 |
[M+Na-2H]- | 1886.2956 | 256.6 |
[M]+ | 1865.3204 | 258.0 |
[M]- | 1865.3214 | 258.0 |
Literature stripe
Patent stripe
No patent data available for this compound.