CID 16131452
[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 2,2-diphenylethyl hydrogen phosphate
Structural Information
- Molecular Formula
- C74H87N27O37P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCC(C3=CC=CC=C3)C4=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/C74H87N27O37P6/c1-32-18-96(74(108)95-65(32)103)49-13-37(43(129-49)21-122-139(109,110)121-19-35(33-8-4-2-5-9-33)34-10-6-3-7-11-34)134-141(113,114)125-23-45-39(15-51(131-45)99-29-84-56-62(99)88-71(77)92-67(56)105)137-143(117,118)127-25-47-41(17-53(133-47)101-31-86-58-64(101)90-73(79)94-69(58)107)138-144(119,120)126-24-46-40(16-52(132-46)100-30-85-57-63(100)89-72(78)93-68(57)106)136-142(115,116)124-22-44-38(14-50(130-44)97-27-82-54-59(75)80-26-81-60(54)97)135-140(111,112)123-20-42-36(102)12-48(128-42)98-28-83-55-61(98)87-70(76)91-66(55)104/h2-11,18,26-31,35-53,102H,12-17,19-25H2,1H3,(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H2,75,80,81)(H,95,103,108)(H3,76,87,91,104)(H3,77,88,92,105)(H3,78,89,93,106)(H3,79,90,94,107)
- InChIKey
- ITPZGFZQASIEDH-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 2,2-diphenylethyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2132.4255 | 235.9 |
| [M+Na]+ | 2154.4074 | 246.3 |
| [M-H]- | 2130.4109 | 235.4 |
| [M+NH4]+ | 2149.4520 | 239.3 |
| [M+K]+ | 2170.3814 | 243.3 |
| [M+H-H2O]+ | 2114.4155 | 234.2 |
| [M+HCOO]- | 2176.4164 | 240.3 |
| [M+CH3COO]- | 2190.4321 | 242.2 |
| [M+Na-2H]- | 2152.3929 | 243.5 |
| [M]+ | 2131.4177 | 244.2 |
| [M]- | 2131.4187 | 244.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.