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(2R,3S,4R,5R,6S)-6-((3-(1H-indol-2-yl)-1H-1,2,4-triazol-5-yl)thio)-5-acetamido-2-(acetoxymethyl)tetrahydro-2H-pyran-3,4-diyl diacetate

View entire compound with spectra: 1 MS (GC)

(2R,3S,4R,5R,6S)-6-((3-(1H-indol-2-yl)-1H-1,2,4-triazol-5-yl)thio)-5-acetamido-2-(acetoxymethyl)tetrahydro-2H-pyran-3,4-diyl diacetate
SpectraBase Compound ID 5lBOT1xxpf2
InChI InChI=1S/C24H27N5O8S/c1-11(30)25-19-21(36-14(4)33)20(35-13(3)32)18(10-34-12(2)31)37-23(19)38-24-27-22(28-29-24)17-9-15-7-5-6-8-16(15)26-17/h5-9,18-21,23,26H,10H2,1-4H3,(H,25,30)(H,27,28,29)/t18-,19-,20-,21-,23+/m1/s1
InChIKey XEUVUMVAKNIMOX-GJTYKATRSA-N
Mol Weight 545.57 g/mol
Molecular Formula C24H27N5O8S
Exact Mass 545.158034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrlGFuotktv
Name (2R,3S,4R,5R,6S)-6-((3-(1H-indol-2-yl)-1H-1,2,4-triazol-5-yl)thio)-5-acetamido-2-(acetoxymethyl)tetrahydro-2H-pyran-3,4-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27N5O8S
InChI InChI=1S/C24H27N5O8S/c1-11(30)25-19-21(36-14(4)33)20(35-13(3)32)18(10-34-12(2)31)37-23(19)38-24-27-22(28-29-24)17-9-15-7-5-6-8-16(15)26-17/h5-9,18-21,23,26H,10H2,1-4H3,(H,25,30)(H,27,28,29)/t18-,19-,20-,21-,23+/m1/s1
InChIKey XEUVUMVAKNIMOX-GJTYKATRSA-N
Molecular Weight 545.567 g/mol
SMILES [nH]1c(nc(-c2[nH]c3ccccc3c2)n1)S[C@]1([C@@]([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])(NC(C)=O)[H])[H]
SPLASH splash10-001i-0109000000-8ed9e75dafb2f6c1d89c
Source of Spectrum El Sayed H. El Ashry, et al. European Journal of Medicinal Chemistry, V.66, 2013, P.106-113
Wiley ID 1817167