Digitoxose

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Properties Simple | Detailed

Formula C6H12O4
IUPAC Name (2r,4s,5s,6r)-6-methyltetrahydropyran-2,4,5-triol
Molecular Mass 148.157 g·mol−1
Heat of Formation -813.2 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 173.88 Å 3
Surface Area 170.08 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 4.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5s,6r)-6-methyloxane-2,4,5-triol
  • (2r,4s,5s,6r)-6-methyltetrahydropyran-2,4,5-triol
InChIKey FDWRIIDFYSUTDP-JGWLITMVSA-N
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Elements H C O