CID 16131463
[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 phenanthren-9-yl hydrogen phosphate
Structural Information
- Molecular Formula
- C74H83N27O37P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=CC4=CC=CC=C4C5=CC=CC=C53)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/C74H83N27O37P6/c1-30-17-96(74(108)95-65(30)103)49-12-37(43(128-49)19-122-139(109,110)133-36-10-31-6-2-3-7-32(31)33-8-4-5-9-34(33)36)134-141(113,114)124-21-45-39(14-51(130-45)99-27-84-56-62(99)88-71(77)92-67(56)105)137-143(117,118)126-23-47-41(16-53(132-47)101-29-86-58-64(101)90-73(79)94-69(58)107)138-144(119,120)125-22-46-40(15-52(131-46)100-28-85-57-63(100)89-72(78)93-68(57)106)136-142(115,116)123-20-44-38(13-50(129-44)97-25-82-54-59(75)80-24-81-60(54)97)135-140(111,112)121-18-42-35(102)11-48(127-42)98-26-83-55-61(98)87-70(76)91-66(55)104/h2-10,17,24-29,35,37-53,102H,11-16,18-23H2,1H3,(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
- MMSUCAXSSROWTR-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 phenanthren-9-yl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2128.3943 | 236.3 |
| [M+Na]+ | 2150.3762 | 246.8 |
| [M-H]- | 2126.3797 | 235.6 |
| [M+NH4]+ | 2145.4208 | 239.8 |
| [M+K]+ | 2166.3502 | 243.7 |
| [M+H-H2O]+ | 2110.3843 | 235.3 |
| [M+HCOO]- | 2172.3852 | 240.8 |
| [M+CH3COO]- | 2186.4009 | 242.6 |
| [M+Na-2H]- | 2148.3617 | 243.6 |
| [M]+ | 2127.3865 | 245.2 |
| [M]- | 2127.3875 | 245.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.