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

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Formula C8H12N2O4
IUPAC Name (3ar,4r,5r,6r,6as)-6-(hydroxymethyl)-2-(methyleneamino)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazole-4,5-diol
Molecular Mass 200.192 g·mol−1
Heat of Formation -548.9 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 229.35 Å 3
Surface Area 217.92 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4r,5r,6r,6as)-2-(methyleneamino)-6-methylol-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazole-4,5-diol
  • (3ar,4r,5r,6r,6as)-6-(hydroxymethyl)-2-(methyleneamino)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazole-4,5-diol
  • (3ar,4r,5r,6r,6as)-6-(hydroxymethyl)-2-(methylideneamino)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]oxazole-4,5-diol
  • (4r,5r,6r)-6-(hydroxymethyl)-2-(methyleneamino)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]oxazole-4,5-diol
  • methyl n-acetyl allosamine
InChIKey YJMIXNAZGREWGZ-GKHCUFPYSA-N
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