CID 16131462
[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 phenazin-1-yl hydrogen phosphate
Structural Information
- Molecular Formula
- C72H81N29O37P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=CC=CC4=NC5=CC=CC=C5N=C43)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)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/C72H81N29O37P6/c1-28-15-96(72(108)95-63(28)103)46-10-34(40(128-46)17-122-139(109,110)133-33-8-4-7-31-51(33)86-30-6-3-2-5-29(30)85-31)134-141(113,114)124-19-42-36(12-48(130-42)99-25-82-54-60(99)88-69(75)92-65(54)105)137-143(117,118)126-21-44-38(14-50(132-44)101-27-84-56-62(101)90-71(77)94-67(56)107)138-144(119,120)125-20-43-37(13-49(131-43)100-26-83-55-61(100)89-70(76)93-66(55)106)136-142(115,116)123-18-41-35(11-47(129-41)97-23-80-52-57(73)78-22-79-58(52)97)135-140(111,112)121-16-39-32(102)9-45(127-39)98-24-81-53-59(98)87-68(74)91-64(53)104/h2-8,15,22-27,32,34-50,102H,9-14,16-21H2,1H3,(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H2,73,78,79)(H,95,103,108)(H3,74,87,91,104)(H3,75,88,92,105)(H3,76,89,93,106)(H3,77,90,94,107)
- InChIKey
- INVOFVBOWYCOJE-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 phenazin-1-yl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2130.3847 | 235.0 |
| [M+Na]+ | 2152.3666 | 244.8 |
| [M-H]- | 2128.3701 | 233.3 |
| [M+NH4]+ | 2147.4112 | 238.0 |
| [M+K]+ | 2168.3406 | 241.3 |
| [M+H-H2O]+ | 2112.3747 | 234.1 |
| [M+HCOO]- | 2174.3756 | 239.1 |
| [M+CH3COO]- | 2188.3913 | 240.9 |
| [M+Na-2H]- | 2150.3521 | 241.4 |
| [M]+ | 2129.3769 | 243.2 |
| [M]- | 2129.3779 | 243.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.