| SpectraBase Compound ID | 836p8MB9S5X |
|---|---|
| InChI | InChI=1S/C13H16F4N2O9P/c14-12(6-20)9(22)8(21)7(18-11(23)13(15,16)17)10(26-12)27-29(24,25)28-19-4-2-1-3-5-19/h1-5,7-10,20-22H,6H2,(H,18,23)(H,24,25)/t7-,8-,9+,10-,12-/m1/s1 |
| InChIKey | PKMDYWMUNHZHGF-WSOSLHDDSA-N |
| Mol Weight | 451.24 g/mol |
| Molecular Formula | C13H16F4N2O9P |
| Exact Mass | 451.052955 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1J10T0N0vqy |
|---|---|
| Name | PYRIDINIUM-5-FLUORO-2-DEOXY-2-ACETAMIDO-ALPHA-D-GLUCOPYRANOSYL-PHOSPHATE |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H15F4N2O9P |
| InChI | InChI=1S/C13H16F4N2O9P/c14-12(6-20)9(22)8(21)7(18-11(23)13(15,16)17)10(26-12)27-29(24,25)28-19-4-2-1-3-5-19/h1-5,7-10,20-22H,6H2,(H,18,23)(H,24,25)/t7-,8-,9+,10-,12-/m1/s1 |
| InChIKey | PKMDYWMUNHZHGF-WSOSLHDDSA-N |
| Literature Reference Author | M.C.T.HARTMAN,J.K.COWARD |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,10036(2002) |
| Literature Reference DOI | 10.1021/ja0127234 |
| Solvent | D2O |
| Source File Reference | UWSI34977 |