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

*Links on SpectraBase are not permalinks.

N6-Benzoyl-9-{(2R,3R,4R,5R)-4-benzoyloxymethyl-5-(2-hydroxyethyl)-3-[(m-trifluoromethyl)benzoyloxy]tetrahydrofuran-2-yl}adenine

View entire compound with spectra: 1 MS (GC)

N6-Benzoyl-9-{(2R,3R,4R,5R)-4-benzoyloxymethyl-5-(2-hydroxyethyl)-3-[(m-trifluoromethyl)benzoyloxy]tetrahydrofuran-2-yl}adenine
SpectraBase Compound ID JDTRh8nCPHz
InChI InChI=1S/C34H28F3N5O7/c35-34(36,37)23-13-7-12-22(16-23)33(46)49-27-24(17-47-32(45)21-10-5-2-6-11-21)25(14-15-43)48-31(27)42-19-40-26-28(38-18-39-29(26)42)41-30(44)20-8-3-1-4-9-20/h1-13,16,18-19,24-25,27,31,43H,14-15,17H2,(H,38,39,41,44)/t24-,25-,27-,31-/m1/s1
InChIKey MHQHIFMLMNQKNF-VLVHCFGSSA-N
Mol Weight 675.6 g/mol
Molecular Formula C34H28F3N5O7
Exact Mass 675.194083 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 4FvoWHF7x2
Name N6-Benzoyl-9-{(2R,3R,4R,5R)-4-benzoyloxymethyl-5-(2-hydroxyethyl)-3-[(m-trifluoromethyl)benzoyloxy]tetrahydrofuran-2-yl}adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H28F3N5O7
InChI InChI=1S/C34H28F3N5O7/c35-34(36,37)23-13-7-12-22(16-23)33(46)49-27-24(17-47-32(45)21-10-5-2-6-11-21)25(14-15-43)48-31(27)42-19-40-26-28(38-18-39-29(26)42)41-30(44)20-8-3-1-4-9-20/h1-13,16,18-19,24-25,27,31,43H,14-15,17H2,(H,38,39,41,44)/t24-,25-,27-,31-/m1/s1
InChIKey MHQHIFMLMNQKNF-VLVHCFGSSA-N
Molecular Weight 675.621 g/mol
SMILES OCC[C@@]1([C@]([C@]([C@]([n]2c3c(c(ncn3)NC(=O)c3ccccc3)nc2)(O1)[H])(OC(c1cc(C(F)(F)F)ccc1)=O)[H])(COC(=O)c1ccccc1)[H])[H]
SPLASH splash10-05fs-2900000000-4ded353d14fd495a376b
Source of Spectrum J-67-4007-10
Synonyms (2R,3R,4R,5R)-2-(6-benzamido-9H-purin-9-yl)-4-[(benzoyloxy)methyl]-5-(2-hydroxyethyl)oxolan-3-yl 3-(trifluoromethyl)benzoate 3-(trifluoromethyl)benzoic acid[(2R,3R,4R,5R)-2-(6-benzamido-9-purinyl)-4-(benzoyloxymethyl)-5-(2-hydroxyethyl)-3-oxolanyl]ester 3-(trifluoromethyl)benzoic acid[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-(benzoyloxymethyl)-5-(2-hydroxyethyl)tetrahydrofuran-3-yl]ester [(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-(benzoyloxymethyl)-5-(2-hydroxyethyl)oxolan-3-yl]3-(trifluoromethyl)benzoate [(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-(benzoyloxymethyl)-5-(2-hydroxyethyl)tetrahydrofuran-3-yl]3-(trifluoromethyl)benzoate [(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-(2-hydroxyethyl)-4-(phenylcarbonyloxymethyl)oxolan-3-yl]3-(trifluoromethyl)benzoate 3-(trifluoromethyl)benzoic acid [(2R,3R,4R,5R)-2-(6-benzamido-9-purinyl)-4-(benzoyloxymethyl)-5-(2-hydroxyethyl)-3-oxolanyl] ester [(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-(benzoyloxymethyl)-5-(2-hydroxyethyl)oxolan-3-yl] 3-(trifluoromethyl)benzoate [(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-(benzoyloxymethyl)-5-(2-hydroxyethyl)tetrahydrofuran-3-yl] 3-(trifluoromethyl)benzoate [(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-(2-hydroxyethyl)-4-(phenylcarbonyloxymethyl)oxolan-3-yl] 3-(trifluoromethyl)benzoate
Wiley ID 1570063