| SpectraBase Compound ID | 7jJ6wr3RSQ2 |
|---|---|
| InChI | InChI=1S/C17H12F9N5O6/c1-30(12(32)15(18,19)20)10-9-11(28-4-27-10)31(5-29-9)8-2-6(37-14(34)17(24,25)26)7(36-8)3-35-13(33)16(21,22)23/h4-8H,2-3H2,1H3 |
| InChIKey | LDLUETXZKALSBR-UHFFFAOYSA-N |
| Mol Weight | 553.3 g/mol |
| Molecular Formula | C17H12F9N5O6 |
| Exact Mass | 553.064387 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JSXnhTztsfz |
|---|---|
| Name | Adenosine, 2'-deoxy-N-methyl-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate) |
| CAS Registry Number | 35170-12-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H12F9N5O6 |
| InChI | InChI=1S/C17H12F9N5O6/c1-30(12(32)15(18,19)20)10-9-11(28-4-27-10)31(5-29-9)8-2-6(37-14(34)17(24,25)26)7(36-8)3-35-13(33)16(21,22)23/h4-8H,2-3H2,1H3 |
| InChIKey | LDLUETXZKALSBR-UHFFFAOYSA-N |
| Molecular Weight | 553.298 g/mol |
| SMILES | CN(c1c2c(ncn1)[n](cn2)C1CC(C(COC(C(F)(F)F)=O)O1)OC(C(F)(F)F)=O)C(C(F)(F)F)=O |
| SPLASH | splash10-0002-4910000000-eaa7cd8b0a8e268b0080 |
| Source of Spectrum | D-10-3974-6 |
| Synonyms | [5-[6-[methyl-(2,2,2-trifluoroacetyl)amino]purin-9-yl]-3-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-2-yl]methyl 2,2,2-trifluoroacetate [5-[6-[methyl-(2,2,2-trifluoroacetyl)amino]purin-9-yl]-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate [5-[6-[methyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]purin-9-yl]-3-[2,2,2-tris(fluoranyl)ethanoyloxy]oxolan-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate 2,2,2-trifluoroacetic acid [5-[6-[methyl-(2,2,2-trifluoro-1-oxoethyl)amino]-9-purinyl]-3-(2,2,2-trifluoro-1-oxoethoxy)-2-oxolanyl]methyl ester |
| Wiley ID | 1406052 |