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(2-R,3-R,4-R,5-R)-2-(BENZOYLOXYMETHYL)-5-(5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE

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(2-R,3-R,4-R,5-R)-2-(BENZOYLOXYMETHYL)-5-(5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE
SpectraBase Compound ID DixLZWnyY1b
InChI InChI=1S/C36H35N5O7S/c1-2-3-4-14-21-49-36-37-22-27-31(38-36)41(40-39-27)32-30(48-35(44)26-19-12-7-13-20-26)29(47-34(43)25-17-10-6-11-18-25)28(46-32)23-45-33(42)24-15-8-5-9-16-24/h5-13,15-20,22,28-30,32H,2-4,14,21,23H2,1H3
InChIKey KHBCVTIBFQAAHQ-UHFFFAOYSA-N
Mol Weight 681.8 g/mol
Molecular Formula C36H35N5O7S
Exact Mass 681.22572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpPcnderTMK
Name (2-R,3-R,4-R,5-R)-2-(BENZOYLOXYMETHYL)-5-(5-(HEXYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H35N5O7S
InChI InChI=1S/C36H35N5O7S/c1-2-3-4-14-21-49-36-37-22-27-31(38-36)41(40-39-27)32-30(48-35(44)26-19-12-7-13-20-26)29(47-34(43)25-17-10-6-11-18-25)28(46-32)23-45-33(42)24-15-8-5-9-16-24/h5-13,15-20,22,28-30,32H,2-4,14,21,23H2,1H3
InChIKey KHBCVTIBFQAAHQ-UHFFFAOYSA-N
Literature Reference Author I.GILLERMAN,B.FISCHER
Literature Reference Citation J.MED.CHEM.,54,107(2011)
Literature Reference DOI 10.1021/jm101286g
Molecular Weight 681.763 g/mol
Solvent CDCl3
Source File Reference UWMZ47127