1-Deoxy-1-{[4-(Hydroxymethyl)Benzyl](Sulfanylcarbonothioyl)Amino}-D-Glucitol

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Formula C15H23NO6S2
IUPAC Name [4-(hydroxymethyl)phenyl]methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Molecular Mass 377.476 g·mol−1
Heat of Formation -991.8 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 436.19 Å 3
Surface Area 365.58 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • [(4-methylolbenzyl)-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methanedithioic acid
  • [[4-(hydroxymethyl)phenyl]methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methanedithioic acid
  • d-glucitol, 1-deoxy-1-((dithiocarboxy)((4-(hydroxymethyl)phenyl)methyl)amino)-
  • n-4-hydroxymethylbenzylglucamine dithiocarbamate
  • n-hbgd
  • n-p-hydroxymethylbenzyl-d-glucamine dithiocarbamate
  • sodium n-p-hydroxymethylbenzyl-d-glucamine dithiocarbamate
CAS Number(s)
  • 127531-17-3
InChIKey XAMXFGPRNKOPIS-REWJHTLYSA-N
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