For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2'-O-Acetyl-3',5'-didesoxy-3'-trifluoroacetamido-beta-D-ribofuranosyl)9-N-benzoyladenine
SpectraBase Compound ID 9ImOhixCaqh
InChI InChI=1S/C21H19F3N6O5/c1-10-13(28-20(33)21(22,23)24)15(35-11(2)31)19(34-10)30-9-27-14-16(25-8-26-17(14)30)29-18(32)12-6-4-3-5-7-12/h3-10,13,15,19H,1-2H3,(H,28,33)(H,25,26,29,32)/t10-,13-,15-,19-/m1/s1
InChIKey PENLBMZHIQHQAD-UDKDQOOJSA-N
Mol Weight 492.42 g/mol
Molecular Formula C21H19F3N6O5
Exact Mass 492.136902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HVEV7koWBe4
Name (2'-O-Acetyl-3',5'-didesoxy-3'-trifluoroacetamido-beta-D-ribofuranosyl)9-N-benzoyladenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F3N6O5
InChI InChI=1S/C21H19F3N6O5/c1-10-13(28-20(33)21(22,23)24)15(35-11(2)31)19(34-10)30-9-27-14-16(25-8-26-17(14)30)29-18(32)12-6-4-3-5-7-12/h3-10,13,15,19H,1-2H3,(H,28,33)(H,25,26,29,32)/t10-,13-,15-,19-/m1/s1
InChIKey PENLBMZHIQHQAD-UDKDQOOJSA-N
Literature Reference DOI 10.1002/hlca.19750580530
Molecular Weight 492.415 g/mol
SMILES N([C@]1([C@]([C@]([n]2cnc3c(ncnc23)NC(=O)c2ccccc2)(O[C@@]1(C)[H])[H])(OC(C)=O)[H])[H])C(C(F)(F)F)=O
SPLASH splash10-08fu-9650400000-a3a3ca6015b780c87ab1
Source of Spectrum H-58-1500-10
Synonyms (2R,3R,4R,5R)-2-(6-benzamido-9H-purin-9-yl)-5-methyl-4-(2,2,2-trifluoroacetamido)tetrahydrofuran-3-yl acetate
Wiley ID 1797335