(2S,3R,6R)-2-(Aminooxy)-6-(Hydroxymethyl)-2-Sulfanyl-3,6-Dihydro-2H-Pyran-3,4,5-Triol

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Formula C6H11NO6S
IUPAC Name (2r,5r,6s)-6-aminooxy-2-(hydroxymethyl)-6-sulfanyl-2,5-dihydropyran-3,4,5-triol
Molecular Mass 225.220 g·mol−1
Heat of Formation -872.7 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 232.12 Å 3
Surface Area 213.44 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,6r)-2-aminooxy-2-mercapto-6-methylol-3,6-dihydropyran-3,4,5-triol
  • (2s,3r,6r)-2-aminooxy-6-(hydroxymethyl)-2-mercapto-3,6-dihydropyran-3,4,5-triol
  • (2s,3r,6r)-2-aminooxy-6-(hydroxymethyl)-2-sulfanyl-3,6-dihydropyran-3,4,5-triol
  • beta-d-glucopyranose, 1-thio-, 1-nitrite
  • s-nitroso-beta-d-thioglucose
  • s-nitrosothioglucose
CAS Number(s)
  • 73427-33-5
InChIKey KNSMFAYATDJFEI-LNFGEOLWSA-N
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