![4-AMINO-7-(2',3'-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSYL)-5-[1''-(3''-TRIFLUOROACETAMIDO)-PROP-1''-YNYL]-7H-PYRROLO-[2,3-D]-PYRIMIDINE](/api/spectrum/Jsm9YSmujas/structure.png?h=300&w=458 "4-AMINO-7-(2',3'-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSYL)-5-[1''-(3''-TRIFLUOROACETAMIDO)-PROP-1''-YNYL]-7H-PYRROLO-[2,3-D]-PYRIMIDINE")
| SpectraBase Compound ID | 4dnF2f7URU8 |
|---|---|
| InChI | InChI=1S/C19H20F3N5O5/c1-18(2)31-12-10(7-28)30-16(13(12)32-18)27-6-9(11-14(23)25-8-26-15(11)27)4-3-5-24-17(29)19(20,21)22/h6,8,10,12-13,16,28H,5,7H2,1-2H3,(H,24,29)(H2,23,25,26)/t10-,12-,13-,16-/m1/s1 |
| InChIKey | AYCKMUKWRYAJFB-XNIJJKJLSA-N |
| Mol Weight | 455.39 g/mol |
| Molecular Formula | C19H20F3N5O5 |
| Exact Mass | 455.141653 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jsm9YSmujas |
|---|---|
| Name | 4-AMINO-7-(2',3'-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSYL)-5-[1''-(3''-TRIFLUOROACETAMIDO)-PROP-1''-YNYL]-7H-PYRROLO-[2,3-D]-PYRIMIDINE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H20F3N5O5 |
| InChI | InChI=1S/C19H20F3N5O5/c1-18(2)31-12-10(7-28)30-16(13(12)32-18)27-6-9(11-14(23)25-8-26-15(11)27)4-3-5-24-17(29)19(20,21)22/h6,8,10,12-13,16,28H,5,7H2,1-2H3,(H,24,29)(H2,23,25,26)/t10-,12-,13-,16-/m1/s1 |
| InChIKey | AYCKMUKWRYAJFB-XNIJJKJLSA-N |
| Literature Reference Author | F.KUNKEL,R.LURZ,E.WEINHOLD |
| Literature Reference Citation | MOLECULES,20,20805(2015) |
| Literature Reference DOI | 10.3390/molecules201119723 |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA6109 |