(3Ar,5R,6S,7R,7Ar)-5-(Hydroxymethyl)-2-Propyl-5,6,7,7A-Tetrahydro-3Ah-Pyrano[3,2-D][1,3]Thiazole-6,7-Diol

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Formula C10H17NO4S
IUPAC Name (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol
Molecular Mass 247.311 g·mol−1
Heat of Formation -714.7 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 287.98 Å 3
Surface Area 256.6 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d][1,3]thiazole-6,7-diol
  • (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d]thiazole-6,7-diol
  • (3ar,5r,6s,7r,7ar)-5-methylol-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d]thiazole-6,7-diol
  • nb1
InChIKey QWOPEBCGKASVQP-QXOHVQIXSA-N
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