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D-Glucitol, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,6-anhydro-1-deoxy-
SpectraBase Compound ID 4Jbz2RlkZHL
InChI InChI=1S/C10H15N3O5/c11-7-1-2-13(10(17)12-7)3-5(14)9-8(16)6(15)4-18-9/h1-2,5-6,8-9,14-16H,3-4H2,(H2,11,12,17)/t5-,6+,8-,9-/m1/s1
InChIKey QXIQCACVTWZSAZ-HSLWUYEYSA-N
Mol Weight 257.25 g/mol
Molecular Formula C10H15N3O5
Exact Mass 257.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RViXMvjWN0
Name D-Glucitol, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,6-anhydro-1-deoxy-
Alternate Name(s) 3,6-Anhydro-1-(cytosin-1-yl)-D-glucitol 4-Amino-1-[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-1,2-dihydropyrimidin-2-one
CAS Registry Number 53626-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15N3O5
InChI InChI=1S/C10H15N3O5/c11-7-1-2-13(10(17)12-7)3-5(14)9-8(16)6(15)4-18-9/h1-2,5-6,8-9,14-16H,3-4H2,(H2,11,12,17)/t5-,6+,8-,9-/m1/s1
InChIKey QXIQCACVTWZSAZ-HSLWUYEYSA-N
Molecular Weight 257.246 g/mol
SMILES O[C@@]1([C@](CO[C@@]1([C@@](CN1C(N=C(C=C1)N)=O)(O)[H])[H])(O)[H])[H]
SPLASH splash10-03di-0900000000-f7128958c7db055459fd
Source of Spectrum AC-74-1391-14
Wiley ID 1260531