3Ar,5R,6S,7R,7Ar-5-Hydroxymethyl-2-Methyl-5,6,7,7A-Tetrahydro-3Ah-Pyrano[3,2-D]Thiazole-6,7-Diol

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Formula C8H13NO4S
IUPAC Name (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol
Molecular Mass 219.258 g·mol−1
Heat of Formation -673.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 240.06 Å 3
Surface Area 220.6 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5r,6s,7r,7ar)-2-methyl-5-methylol-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d]thiazole-6,7-diol
  • (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d]thiazole-6,7-diol
  • ngt
InChIKey DRHXTSWSUAJOJZ-FMDGEEDCSA-N
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