6-O-Phosphono-α-D-Glucopyranosyl 6-O-Phosphono-α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H24O17P2
IUPAC Name [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 502.256 g·mol−1
Heat of Formation -3785.1 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 499.57 Å 3
Surface Area 411.35 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • alpha,alpha-trehalose 6,6'-diphosphate
  • trehalose 6,6'-diphosphate
  • trehalose, 6,6'-bis(dihydrogen phosphate)
CAS Number(s)
  • 1745-65-9
InChIKey UKVYVCPNPMKOAO-LIZSDCNHSA-N
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