Gabosine C

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Properties Simple | Detailed

Formula C7H10O5
IUPAC Name (4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
Molecular Mass 174.151 g·mol−1
Heat of Formation -843.5 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 191.39 Å 3
Surface Area 183.52 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enone
  • (4r,5r,6r)-4,5,6-trihydroxy-2-methylol-cyclohex-2-en-1-one
  • 4,5,6-trihydroxy-2-(hydroxymethyl)-2-cyclohexen-1-one
  • kd 16u1
  • kd-16u1
CAS Number(s)
  • 40980-53-8
InChIKey DEJZWTDEKQRWLD-QXRNQMCJSA-N
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Elements H C O