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5-Fluoro-3-(2,3,4,6-tetra-O-acetyl-b-d-glucopyranosyl)-1H-pyrimidine-2,4-dione

View entire compound with spectra: 2 NMR

5-Fluoro-3-(2,3,4,6-tetra-O-acetyl-b-d-glucopyranosyl)-1H-pyrimidine-2,4-dione
SpectraBase Compound ID 6cTDHTdbzJY
InChI InChI=1S/C18H21FN2O11/c1-7(22)28-6-12-13(29-8(2)23)14(30-9(3)24)15(31-10(4)25)17(32-12)21-16(26)11(19)5-20-18(21)27/h5,12-15,17H,6H2,1-4H3,(H,20,27)/t12-,13+,14-,15-,17+/m0/s1
InChIKey QOPWRNLWYXUWEP-CEEVZKBLSA-N
Mol Weight 460.37 g/mol
Molecular Formula C18H21FN2O11
Exact Mass 460.112938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KZOwn6Xzcc
Name 5-Fluoro-3-(2,3,4,6-tetra-o-acetyl-B-D-glucopyranosyl)-1H-pyrimidine-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.112937656 u
Formula C18H21FN2O11
InChI InChI=1S/C18H21FN2O11/c1-7(22)28-6-12-13(29-8(2)23)14(30-9(3)24)15(31-10(4)25)17(32-12)21-16(26)11(19)5-20-18(21)27/h5,12-15,17H,6H2,1-4H3,(H,20,27)/t12-,13+,14-,15-,17+/m0/s1
InChIKey QOPWRNLWYXUWEP-CEEVZKBLSA-N
Molecular Weight 460.367 g/mol
SMILES N1C=C(C(N(C1=O)[C@@]1(O[C@]([C@]([C@@]([C@@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H])[H])=O)F