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2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-1,2,4-triazol-3-one

View entire compound with spectra: 1 MS (GC)

2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-1,2,4-triazol-3-one
SpectraBase Compound ID 4xEq1igIotC
InChI InChI=1S/C7H11N3O5/c11-1-3-4(12)5(13)6(15-3)10-7(14)8-2-9-10/h2-6,11-13H,1H2,(H,8,9,14)/t3-,4-,5-,6-/m1/s1
InChIKey GGCXPEQPFOGLCN-KVTDHHQDSA-N
Mol Weight 217.18 g/mol
Molecular Formula C7H11N3O5
Exact Mass 217.06987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ppt2oQfPd
Name 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-1,2,4-triazol-3-one
CAS Registry Number 80049-47-4
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11N3O5
InChI InChI=1S/C7H11N3O5/c11-1-3-4(12)5(13)6(15-3)10-7(14)8-2-9-10/h2-6,11-13H,1H2,(H,8,9,14)/t3-,4-,5-,6-/m1/s1
InChIKey GGCXPEQPFOGLCN-KVTDHHQDSA-N
Molecular Weight 217.181 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C(NC=N1)=O)[H])(CO)[H])[H]
SPLASH splash10-000i-9000000000-930426b296e77c6bde3c
Source of Spectrum J-47-479-0
Synonyms 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-one 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-one 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-one 2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-1,2,4-triazol-3-one
Wiley ID 1216269