(4R,5R,6Z,8S,10R)-4,5,8-Trihydroxy-10-Methyl-3,4,5,8,9,10-Hexahydro-2H-Oxecin-2-One

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Properties Simple | Detailed

Formula C10H16O5
IUPAC Name (2r,4s,5z,7r,8r)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Molecular Mass 216.231 g·mol−1
Heat of Formation -941.0 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 251.76 Å 3
Surface Area 222.4 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6z,8s,10r)-4,5,8-trihydroxy-10-methyl-3,4,5,8,9,10-hexahydrooxecin-2-one
  • 2h-oxecin-2-one, 3,4,5,8,9,10-hexahydro-4,5,8-trihydroxy-10-methyl-, (4r-(4r*,5r*,6e,8s*,10r*))-
  • decarestrictine n
CAS Number(s)
  • 147705-04-2
InChIKey HWMMWMJBUOCCFZ-PCITUYGISA-N
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