Phenyl 6-O-(Carboxyacetyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C15H18O9
IUPAC Name 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-phenoxy-tetrahydropyran-2-yl]methoxy]propanoic acid
Molecular Mass 342.298 g·mol−1
Heat of Formation -1549.3 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 374.89 Å 3
Surface Area 332.09 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3-keto-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)tetrahydropyran-2-yl]methoxy]propionic acid
  • 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)-2-tetrahydropyranyl]methoxy]propanoic acid
  • 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)oxan-2-yl]methoxy]propanoic acid
  • 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(phenoxy)tetrahydropyran-2-yl]methoxy]propanoic acid
  • 4-phenyl-6-o-malonyl-beta-d-glucopyranoside
  • 4-phenyl-6-o-malonylglucoside
  • beta-d-glucopyranoside, phenyl, 6-(hydrogen propanedioate)
CAS Number(s)
  • 104932-60-7
InChIKey WROCAMQDRXZFKS-SWMGHYKJSA-N
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