6-O-α-D-Galactopyranuronosyl-D-Glucose

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Properties Simple | Detailed

Formula C12H20O12
IUPAC Name (2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexoxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 356.280 g·mol−1
Heat of Formation -2188.2 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 384.71 Å 3
Surface Area 307.57 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-keto-hexoxy]tetrahydropyran-2-carboxylic acid
  • (2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexoxy]oxane-2-carboxylic acid
  • (2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexoxy]tetrahydropyran-2-carboxylic acid
  • (2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexoxy]-2-tetrahydropyrancarboxylic acid
  • (2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexoxy]oxane-2-carboxylic acid
  • melibiouronic acid
  • o-(galactopyranosyluronic acid)-(1-6)glucose
CAS Number(s)
  • 109280-58-2
InChIKey NBTUEARNKVTGKY-RBAZEOKYSA-N
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