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2-[4-(Methoxycarbonyl)piperazin-1-yl]-5-(O-methyl-.beta.,D-glucopyranosyloxy)pyrimidine
SpectraBase Compound ID IsQoqwADIZ0
InChI InChI=1S/C17H26N4O8/c1-26-14-13(24)12(23)11(9-22)29-15(14)28-10-7-18-16(19-8-10)20-3-5-21(6-4-20)17(25)27-2/h7-8,11-15,22-24H,3-6,9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey LWNGRAQKHFNRSC-UXXRCYHCSA-N
Mol Weight 414.42 g/mol
Molecular Formula C17H26N4O8
Exact Mass 414.175064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dTFXsXenA
Name 2-[4-(Methoxycarbonyl)piperazin-1-yl]-5-(O-methyl-.beta.,D-glucopyranosyloxy)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N4O8
InChI InChI=1S/C17H26N4O8/c1-26-14-13(24)12(23)11(9-22)29-15(14)28-10-7-18-16(19-8-10)20-3-5-21(6-4-20)17(25)27-2/h7-8,11-15,22-24H,3-6,9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey LWNGRAQKHFNRSC-UXXRCYHCSA-N
Molecular Weight 414.415 g/mol
SMILES O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(OC)[H])(Oc1cnc(nc1)N1CCN(CC1)C(=O)OC)[H])[H])(O)[H])[H]
SPLASH splash10-00dr-0960000000-c1b709996f77fe29f9eb
Source of Spectrum F-53-6428-11
Synonyms Methyl 4-{5-[(2-O-methyl-.beta.-D-glucopyranosyl)oxy]-2-pyrimidinyl}-1-piperazinecarboxylate
Wiley ID 802115