4-Methylumbelliferyl β-D-Cellobioside

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Properties Simple | Detailed

Formula C22H28O13
IUPAC Name hepta-1,3,6-triyne-1,7-diol; 6-(oxomethylene)-5-[3,4,5-trioxo-6-(oxomethylene)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,4-trione
Molecular Mass 500.450 g·mol−1
Heat of Formation -2201.7 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 542.68 Å 3
Surface Area 449.88 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-((4-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-4-methyl-
  • 4-methylumbelliferylcellobioside
  • 7-((4-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-4-methyl-2h-1-benzopyran-2-one
  • 7-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4-methyl-chromen-2-one
  • 7-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
  • 7-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methyl-chromen-2-one
  • 7-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methyl-coumarin
  • 7-[[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-4-methyl-2-chromenone
CAS Number(s)
  • 72626-61-0
InChIKey PRTGXBPFDYMIJH-MKQZUAMYSA-N
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