CID 16072349
D(cccccc)
Structural Information
- Molecular Formula
- C54H74N18O37P6
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)O)N8C=CC(=NC8=O)N)N9C=CC(=NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C54H74N18O37P6/c55-37-1-7-67(49(74)61-37)43-13-25(73)31(99-43)19-94-111(83,84)106-27-15-45(69-9-3-39(57)63-51(69)76)101-33(27)21-96-113(87,88)108-29-17-47(71-11-5-41(59)65-53(71)78)103-35(29)23-98-115(91,92)109-30-18-48(72-12-6-42(60)66-54(72)79)104-36(30)24-97-114(89,90)107-28-16-46(70-10-4-40(58)64-52(70)77)102-34(28)22-95-112(85,86)105-26-14-44(68-8-2-38(56)62-50(68)75)100-32(26)20-93-110(80,81)82/h1-12,25-36,43-48,73H,13-24H2,(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H2,55,61,74)(H2,56,62,75)(H2,57,63,76)(H2,58,64,77)(H2,59,65,78)(H2,60,66,79)(H2,80,81,82)
- InChIKey
- UEAMIICSXQCVIK-UHFFFAOYSA-N
- Compound name
- [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-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]+ | 1753.2961 | 295.4 |
[M+Na]+ | 1775.2780 | 304.3 |
[M-H]- | 1751.2815 | 300.8 |
[M+NH4]+ | 1770.3226 | 298.7 |
[M+K]+ | 1791.2520 | 302.1 |
[M+H-H2O]+ | 1735.2861 | 290.7 |
[M+HCOO]- | 1797.2870 | 298.3 |
[M+CH3COO]- | 1811.3027 | 299.4 |
[M+Na-2H]- | 1773.2635 | 307.5 |
[M]+ | 1752.2883 | 290.6 |
[M]- | 1752.2893 | 290.6 |
Literature stripe
Patent stripe
No patent data available for this compound.