(2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl α-D-Galactopyranoside

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Properties Simple | Detailed

Formula C12H22O11
IUPAC Name (1s,2r,4r,5s)-6-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycyclohexane-1,2,3,4,5-pentol
Molecular Mass 342.296 g·mol−1
Heat of Formation -2115.9 ± 16.7 kJ·mol−1
Dipole Moment 0.81 ± 1.08 D
Volume 365.77 Å 3
Surface Area 298.87 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4r,5s)-6-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
  • (1s,2r,4r,5s)-6-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycyclohexane-1,2,3,4,5-pentol
  • (1s,2r,4r,5s)-6-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycyclohexane-1,2,3,4,5-pentol
  • (1s,2r,4r,5s)-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]cyclohexane-1,2,3,4,5-pentol
InChIKey VCWMRQDBPZKXKG-ADKCXELFSA-N
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