CID 16131453
[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-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate
Structural Information
- Molecular Formula
- C66H79N27O37P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=CC=CC=C3)OP(=O)(O)OCC4C(CC(O4)N5C=NC6=C5N=C(NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C66H79N27O37P6/c1-26-13-88(66(100)87-57(26)95)41-8-29(35(120-41)15-114-131(101,102)125-27-5-3-2-4-6-27)126-133(105,106)116-17-37-31(10-43(122-37)91-23-76-48-54(91)80-63(69)84-59(48)97)129-135(109,110)118-19-39-33(12-45(124-39)93-25-78-50-56(93)82-65(71)86-61(50)99)130-136(111,112)117-18-38-32(11-44(123-38)92-24-77-49-55(92)81-64(70)85-60(49)98)128-134(107,108)115-16-36-30(9-42(121-36)89-21-74-46-51(67)72-20-73-52(46)89)127-132(103,104)113-14-34-28(94)7-40(119-34)90-22-75-47-53(90)79-62(68)83-58(47)96/h2-6,13,20-25,28-45,94H,7-12,14-19H2,1H3,(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H2,67,72,73)(H,87,95,100)(H3,68,79,83,96)(H3,69,80,84,97)(H3,70,81,85,98)(H3,71,82,86,99)
- InChIKey
- TULRSHYIGFHNFC-UHFFFAOYSA-N
- Compound name
- [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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2028.3629 | 238.4 |
| [M+Na]+ | 2050.3448 | 248.6 |
| [M-H]- | 2026.3483 | 237.2 |
| [M+NH4]+ | 2045.3894 | 241.5 |
| [M+K]+ | 2066.3188 | 245.9 |
| [M+H-H2O]+ | 2010.3529 | 236.9 |
| [M+HCOO]- | 2072.3538 | 242.4 |
| [M+CH3COO]- | 2086.3695 | 244.2 |
| [M+Na-2H]- | 2048.3303 | 243.6 |
| [M]+ | 2027.3551 | 244.9 |
| [M]- | 2027.3561 | 244.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.