(3Ar,5R,6S,7R,7Ar)-6-Fluoro-5-(Hydroxymethyl)-2-Methyl-5,6,7,7A-Tetrahydro-3Ah-Pyrano[3,2-D][1,3]Oxazol-7-Ol

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Formula C8H12FNO4
IUPAC Name (3ar,5r,6s,7r,7ar)-6-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazol-7-ol
Molecular Mass 205.184 g·mol−1
Heat of Formation -879.5 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 223.4 Å 3
Surface Area 205.23 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5r,6s,7r,7ar)-6-fluoro-2-methyl-5-methylol-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazol-7-ol
  • (3ar,5r,6s,7r,7ar)-6-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazol-7-ol
  • 2-mdatfo
  • 2-methyl-(3,6-di-o-acetyl-1,2,4-trideoxy-4-fluoroglucopyrano)-(2,1-d)-2-oxazoline
CAS Number(s)
  • 121496-67-1
InChIKey XOBKCFKVDMYWCW-YQXRAVKXSA-N
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