CID 16131456
[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 (4-phenylmethoxyphenyl) hydrogen phosphate
Structural Information
- Molecular Formula
- C73H85N27O38P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=CC=C(C=C3)OCC4=CC=CC=C4)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=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/C73H85N27O38P6/c1-31-17-95(73(107)94-64(31)102)48-12-36(42(128-48)20-122-139(108,109)133-34-9-7-33(8-10-34)120-18-32-5-3-2-4-6-32)134-141(112,113)124-22-44-38(14-50(130-44)98-28-83-55-61(98)87-70(76)91-66(55)104)137-143(116,117)126-24-46-40(16-52(132-46)100-30-85-57-63(100)89-72(78)93-68(57)106)138-144(118,119)125-23-45-39(15-51(131-45)99-29-84-56-62(99)88-71(77)92-67(56)105)136-142(114,115)123-21-43-37(13-49(129-43)96-26-81-53-58(74)79-25-80-59(53)96)135-140(110,111)121-19-41-35(101)11-47(127-41)97-27-82-54-60(97)86-69(75)90-65(54)103/h2-10,17,25-30,35-52,101H,11-16,18-24H2,1H3,(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H2,74,79,80)(H,94,102,107)(H3,75,86,90,103)(H3,76,87,91,104)(H3,77,88,92,105)(H3,78,89,93,106)
- InChIKey
- PBGSZZXAVITSFF-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 (4-phenylmethoxyphenyl) hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2134.4048 | 237.0 |
| [M+Na]+ | 2156.3867 | 247.4 |
| [M-H]- | 2132.3902 | 236.5 |
| [M+NH4]+ | 2151.4313 | 240.4 |
| [M+K]+ | 2172.3607 | 244.3 |
| [M+H-H2O]+ | 2116.3948 | 235.6 |
| [M+HCOO]- | 2178.3957 | 241.4 |
| [M+CH3COO]- | 2192.4114 | 243.2 |
| [M+Na-2H]- | 2154.3722 | 244.4 |
| [M]+ | 2133.3970 | 244.7 |
| [M]- | 2133.3980 | 244.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.