4-Formylphenyl β-D-Allopyranoside

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Properties Simple | Detailed

Formula C13H16O7
IUPAC Name 4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzaldehyde
Molecular Mass 284.262 g·mol−1
Heat of Formation -1114.9 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 316.95 Å 3
Surface Area 284.84 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
  • 4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzaldehyde
  • 4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzaldehyde
  • 4-[[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzaldehyde
InChIKey OLZAGZCCJJBKNZ-SYLRKERUSA-N
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