CID 16131455
[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 (2,4,6-triphenylphenyl) hydrogen phosphate
Structural Information
- Molecular Formula
- C84H91N27O37P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)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=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/C84H91N27O37P6/c1-38-25-106(84(118)105-75(38)113)58-20-46(52(138-58)31-136-154(129,130)148-68-43(40-13-7-3-8-14-40)17-42(39-11-5-2-6-12-39)18-44(68)41-15-9-4-10-16-41)143-150(121,122)133-28-54-48(22-60(140-54)109-35-94-65-72(109)98-81(87)102-77(65)115)146-152(125,126)135-30-56-50(24-62(142-56)111-37-96-67-74(111)100-83(89)104-79(67)117)147-153(127,128)134-29-55-49(23-61(141-55)110-36-95-66-73(110)99-82(88)103-78(66)116)145-151(123,124)132-27-53-47(21-59(139-53)107-33-92-63-69(85)90-32-91-70(63)107)144-149(119,120)131-26-51-45(112)19-57(137-51)108-34-93-64-71(108)97-80(86)101-76(64)114/h2-18,25,32-37,45-62,112H,19-24,26-31H2,1H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H2,85,90,91)(H,105,113,118)(H3,86,97,101,114)(H3,87,98,102,115)(H3,88,99,103,116)(H3,89,100,104,117)
- InChIKey
- UNSWVCCBRBGCRH-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 (2,4,6-triphenylphenyl) hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2256.4568 | 230.6 |
| [M+Na]+ | 2278.4387 | 241.5 |
| [M-H]- | 2254.4422 | 231.2 |
| [M+NH4]+ | 2273.4833 | 234.6 |
| [M+K]+ | 2294.4127 | 237.9 |
| [M+H-H2O]+ | 2238.4468 | 229.5 |
| [M+HCOO]- | 2300.4477 | 235.8 |
| [M+CH3COO]- | 2314.4634 | 237.7 |
| [M+Na-2H]- | 2276.4242 | 241.1 |
| [M]+ | 2255.4490 | 241.4 |
| [M]- | 2255.4500 | 241.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.