4-O-(6-O-Phosphono-β-D-Galactopyranosyl)-D-Glucose

Molecule SVG Image

Properties Simple | Detailed

Formula C12H23O14P
IUPAC Name [(2r,3r,4s,5r,6s)-6-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 422.276 g·mol−1
Heat of Formation -2799.7 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 447.56 Å 3
Surface Area 364.44 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4r,5r)-1,2,4,5-tetrahydroxy-6-oxo-hexan-3-yl]oxy-oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3r,4r,5r)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r,6s)-6-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-keto-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r,6s)-6-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r,6s)-6-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxobutoxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • d-glucose, 4-o-(6-o-phosphono-beta-d-galactopyranosyl)-
  • lactose 6'-phosphate
CAS Number(s)
  • 72929-47-6
InChIKey QMNITDNTKXPFOP-JVCRWLNRSA-N
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