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2',3',5'-tri-o-Acetyl-6-(trifluoromethyl)-9-(beta-D-ribofuranosyl)-purine

View entire compound with spectra: 2 NMR

2',3',5'-tri-o-Acetyl-6-(trifluoromethyl)-9-(beta-D-ribofuranosyl)-purine
SpectraBase Compound ID L2aCO6wflht
InChI InChI=1S/C17H17F3N4O7/c1-7(25)28-4-10-12(29-8(2)26)13(30-9(3)27)16(31-10)24-6-23-11-14(17(18,19)20)21-5-22-15(11)24/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12-,13-,16-/m0/s1
InChIKey BXVFPSACFKBPAD-SDPXSBNPSA-N
Mol Weight 446.34 g/mol
Molecular Formula C17H17F3N4O7
Exact Mass 446.104933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yeiPHdNNPu
Name 2',3',5'-tri-o-Acetyl-6-(trifluoromethyl)-9-(beta-D-ribofuranosyl)-purine
Comments Computed using HOSE algorithm
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Exact Mass 446.104933385 u
Formula C17H17F3N4O7
InChI InChI=1S/C17H17F3N4O7/c1-7(25)28-4-10-12(29-8(2)26)13(30-9(3)27)16(31-10)24-6-23-11-14(17(18,19)20)21-5-22-15(11)24/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12-,13-,16-/m0/s1
InChIKey BXVFPSACFKBPAD-SDPXSBNPSA-N
Molecular Weight 446.339 g/mol
SMILES [C@]1(N2C3=C(C(C(F)(F)F)=NC=N3)N=C2)([C@]([C@@](OC(=O)C)([C@@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H]