![N-[4-O-(BETA-D-GLUCOPYRANOSYLURONIC-ACID)-3-NITROBENZYLOXYCARBONYL]-2-(5-FLUORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)-GLYCINE](/api/spectrum/IDaepp3rcAi/structure.png?h=300&w=458 "N-[4-O-(BETA-D-GLUCOPYRANOSYLURONIC-ACID)-3-NITROBENZYLOXYCARBONYL]-2-(5-FLUORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)-GLYCINE")
| SpectraBase Compound ID | IlF9KLHRxZt |
|---|---|
| InChI | InChI=1S/C20H19FN4O15/c21-7-4-24(19(34)23-15(7)29)14(17(32)33)22-20(35)38-5-6-1-2-9(8(3-6)25(36)37)39-18-12(28)10(26)11(27)13(40-18)16(30)31/h1-4,10-14,18,26-28H,5H2,(H,22,35)(H,30,31)(H,32,33)(H,23,29,34)/t10-,11-,12+,13-,14?,18+/m1/s1 |
| InChIKey | VJJSHVFVIYEWIE-SPFRBAECSA-N |
| Mol Weight | 574.38 g/mol |
| Molecular Formula | C20H19FN4O15 |
| Exact Mass | 574.083094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDaepp3rcAi |
|---|---|
| Name | N-[4-O-(BETA-D-GLUCOPYRANOSYLURONIC-ACID)-3-NITROBENZYLOXYCARBONYL]-2-(5-FLUORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)-GLYCINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H19FN4O15 |
| InChI | InChI=1S/C20H19FN4O15/c21-7-4-24(19(34)23-15(7)29)14(17(32)33)22-20(35)38-5-6-1-2-9(8(3-6)25(36)37)39-18-12(28)10(26)11(27)13(40-18)16(30)31/h1-4,10-14,18,26-28H,5H2,(H,22,35)(H,30,31)(H,32,33)(H,23,29,34)/t10-,11-,12+,13-,14?,18+/m1/s1 |
| InChIKey | VJJSHVFVIYEWIE-SPFRBAECSA-N |
| Literature Reference Author | R.MADEC-LOUGERSTAY,J.C.FLORENT,C.MONNERET |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1369(1999) |
| Literature Reference DOI | 10.1039/a808915i |
| Molecular Weight | 574.387 g/mol |
| Solvent | D2O+DIOXANE |
| Source File Reference | UWRU5675 |