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(2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-phenyl-4-trifluoromethyl-pyrazolo[3,4-b]pyridin-1-yl)-tetrahydro-furan-3,4-diol
SpectraBase Compound ID 4OBbEHkX7cL
InChI InChI=1S/C18H16F3N3O4/c19-18(20,21)11-6-12(9-4-2-1-3-5-9)23-16-10(11)7-22-24(16)17-15(27)14(26)13(8-25)28-17/h1-7,13-15,17,25-27H,8H2/t13-,14-,15-,17-/m1/s1
InChIKey XBRHXGQDAZCTPY-KCYZZUKISA-N
Mol Weight 395.34 g/mol
Molecular Formula C18H16F3N3O4
Exact Mass 395.10929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm8xCMqVxAE
Name (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-phenyl-4-trifluoromethyl-pyrazolo[3,4-b]pyridin-1-yl)-tetrahydro-furan-3,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F3N3O4
InChI InChI=1S/C18H16F3N3O4/c19-18(20,21)11-6-12(9-4-2-1-3-5-9)23-16-10(11)7-22-24(16)17-15(27)14(26)13(8-25)28-17/h1-7,13-15,17,25-27H,8H2/t13-,14-,15-,17-/m1/s1
InChIKey XBRHXGQDAZCTPY-KCYZZUKISA-N
Molecular Weight 395.338 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(c(C(F)(F)F)cc(n2)-c2ccccc2)cn1)[H])(CO)[H])[H]
SPLASH splash10-0006-0393000000-b939967e5a3da0ee88e9
Source of Spectrum F4-41-737-16b
Synonyms 1-(.beta.,D-Ribofuranoyl)-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-phenyl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]oxolane-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]oxolane-3,4-diol
Wiley ID 1671991