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(2-R,3-R,4-R,5-R)-2-(7-AMINO-5-(BENZYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-5-(BENZOYLOXYMETHYL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE

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(2-R,3-R,4-R,5-R)-2-(7-AMINO-5-(BENZYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-5-(BENZOYLOXYMETHYL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE
SpectraBase Compound ID 78Ms8Vb1rI
InChI InChI=1S/C37H30N6O7S/c38-31-28-32(40-37(39-31)51-22-23-13-5-1-6-14-23)43(42-41-28)33-30(50-36(46)26-19-11-4-12-20-26)29(49-35(45)25-17-9-3-10-18-25)27(48-33)21-47-34(44)24-15-7-2-8-16-24/h1-20,27,29-30,33H,21-22H2,(H2,38,39,40)
InChIKey WUIPDPBXGRGJPC-UHFFFAOYSA-N
Mol Weight 702.7 g/mol
Molecular Formula C37H30N6O7S
Exact Mass 702.189668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXy2MpqJhlj
Name (2-R,3-R,4-R,5-R)-2-(7-AMINO-5-(BENZYLTHIO)-3-H-[1.2.3]-TRIAZOLO-[4.5-D]-PYRIMIDIN-3-YL)-5-(BENZOYLOXYMETHYL)-TETRAHYDROFURAN-3,4-DIOL_DIBENZOATE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30N6O7S
InChI InChI=1S/C37H30N6O7S/c38-31-28-32(40-37(39-31)51-22-23-13-5-1-6-14-23)43(42-41-28)33-30(50-36(46)26-19-11-4-12-20-26)29(49-35(45)25-17-9-3-10-18-25)27(48-33)21-47-34(44)24-15-7-2-8-16-24/h1-20,27,29-30,33H,21-22H2,(H2,38,39,40)
InChIKey WUIPDPBXGRGJPC-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 702.741 g/mol
Solvent CDCl3
Source File Reference UWMZ47124