(3Ar,4R,5R,6R,6As)-2-(Dimethylamino)-6-(Hydroxymethyl)-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D][1,3]Oxazole-4,5-Diol

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Formula C9H16N2O4
IUPAC Name (3ar,4r,5r,6r,6as)-2-(dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazole-4,5-diol
Molecular Mass 216.234 g·mol−1
Heat of Formation -683.9 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 249.63 Å 3
Surface Area 232.96 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4r,5r,6r,6as)-2-dimethylamino-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]oxazole-4,5-diol
  • (3ar,4r,5r,6r,6as)-2-dimethylamino-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazole-4,5-diol
  • (3ar,4r,5r,6r,6as)-2-dimethylamino-6-methylol-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazole-4,5-diol
  • allosamizoline
  • ami
InChIKey MKJAYSJDHSEFRI-PVFLNQBWSA-N
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