CID 16131461
[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 (9-oxofluoren-2-yl) hydrogen phosphate
Structural Information
- Molecular Formula
- C73H81N27O38P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=CC4=C(C=C3)C5=CC=CC=C5C4=O)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/C73H81N27O38P6/c1-28-15-95(73(108)94-64(28)103)47-10-35(41(128-47)17-122-139(109,110)133-29-6-7-31-30-4-2-3-5-32(30)57(102)33(31)8-29)134-141(113,114)124-19-43-37(12-49(130-43)98-25-83-54-61(98)87-70(76)91-66(54)105)137-143(117,118)126-21-45-39(14-51(132-45)100-27-85-56-63(100)89-72(78)93-68(56)107)138-144(119,120)125-20-44-38(13-50(131-44)99-26-84-55-62(99)88-71(77)92-67(55)106)136-142(115,116)123-18-42-36(11-48(129-42)96-23-81-52-58(74)79-22-80-59(52)96)135-140(111,112)121-16-40-34(101)9-46(127-40)97-24-82-53-60(97)86-69(75)90-65(53)104/h2-8,15,22-27,34-51,101H,9-14,16-21H2,1H3,(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H2,74,79,80)(H,94,103,108)(H3,75,86,90,104)(H3,76,87,91,105)(H3,77,88,92,106)(H3,78,89,93,107)
- InChIKey
- QHWHJNQIXHRLMZ-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 (9-oxofluoren-2-yl) hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2130.3735 | 238.3 |
| [M+Na]+ | 2152.3554 | 248.4 |
| [M-H]- | 2128.3589 | 237.7 |
| [M+NH4]+ | 2147.4000 | 241.7 |
| [M+K]+ | 2168.3294 | 246.1 |
| [M+H-H2O]+ | 2112.3635 | 237.6 |
| [M+HCOO]- | 2174.3644 | 242.7 |
| [M+CH3COO]- | 2188.3801 | 244.4 |
| [M+Na-2H]- | 2150.3409 | 245.0 |
| [M]+ | 2129.3657 | 246.2 |
| [M]- | 2129.3667 | 246.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.