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(2S,3R,4S,5R)-2-(4,6-Bis-trifluoromethyl-pyrazolo[3,4-d]pyrimidin-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol

View entire compound with spectra: 1 MS (GC)

(2S,3R,4S,5R)-2-(4,6-Bis-trifluoromethyl-pyrazolo[3,4-d]pyrimidin-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
SpectraBase Compound ID 1TH1j2PneDY
InChI InChI=1S/C12H10F6N4O4/c13-11(14,15)7-3-1-19-22(8(3)21-10(20-7)12(16,17)18)9-6(25)5(24)4(2-23)26-9/h1,4-6,9,23-25H,2H2/t4-,5-,6-,9+/m1/s1
InChIKey ZWDZVCHWGJZVOB-JEMLMZEFSA-N
Mol Weight 388.23 g/mol
Molecular Formula C12H10F6N4O4
Exact Mass 388.060624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2B4XwxRoYML
Name (2S,3R,4S,5R)-2-(4,6-Bis-trifluoromethyl-pyrazolo[3,4-d]pyrimidin-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Alternate Name(s) 1-(.beta.D-ribofuranosyl)-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F6N4O4
InChI InChI=1S/C12H10F6N4O4/c13-11(14,15)7-3-1-19-22(8(3)21-10(20-7)12(16,17)18)9-6(25)5(24)4(2-23)26-9/h1,4-6,9,23-25H,2H2/t4-,5-,6-,9+/m1/s1
InChIKey ZWDZVCHWGJZVOB-JEMLMZEFSA-N
Molecular Weight 388.226 g/mol
SMILES O[C@@]1([C@](O[C@@]([C@@]1(O)[H])([n]1c2c(c(C(F)(F)F)nc(n2)C(F)(F)F)cn1)[H])(CO)[H])[H]
SPLASH splash10-0a5i-3495000000-ad1cba5b869445b60d80
Source of Spectrum F4-41-740-28
Wiley ID 1671976