CID 16131458
[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 naphthalen-1-yl hydrogen phosphate
Structural Information
- Molecular Formula
- C70H81N27O37P6
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3=CC=CC4=CC=CC=C43)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/C70H81N27O37P6/c1-28-15-92(70(104)91-61(28)99)45-10-33(39(124-45)17-118-135(105,106)129-32-8-4-6-29-5-2-3-7-30(29)32)130-137(109,110)120-19-41-35(12-47(126-41)95-25-80-52-58(95)84-67(73)88-63(52)101)133-139(113,114)122-21-43-37(14-49(128-43)97-27-82-54-60(97)86-69(75)90-65(54)103)134-140(115,116)121-20-42-36(13-48(127-42)96-26-81-53-59(96)85-68(74)89-64(53)102)132-138(111,112)119-18-40-34(11-46(125-40)93-23-78-50-55(71)76-22-77-56(50)93)131-136(107,108)117-16-38-31(98)9-44(123-38)94-24-79-51-57(94)83-66(72)87-62(51)100/h2-8,15,22-27,31,33-49,98H,9-14,16-21H2,1H3,(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H2,71,76,77)(H,91,99,104)(H3,72,83,87,100)(H3,73,84,88,101)(H3,74,85,89,102)(H3,75,86,90,103)
- InChIKey
- KEOIRVIVIZNSGD-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 naphthalen-1-yl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 2078.3786 | 237.4 |
| [M+Na]+ | 2100.3605 | 247.8 |
| [M-H]- | 2076.3640 | 236.4 |
| [M+NH4]+ | 2095.4051 | 240.7 |
| [M+K]+ | 2116.3345 | 244.9 |
| [M+H-H2O]+ | 2060.3686 | 236.2 |
| [M+HCOO]- | 2122.3695 | 241.7 |
| [M+CH3COO]- | 2136.3852 | 243.5 |
| [M+Na-2H]- | 2098.3460 | 243.7 |
| [M]+ | 2077.3708 | 245.0 |
| [M]- | 2077.3718 | 245.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.