4-Methyl-2-Oxo-2H-Chromen-7-Yl 4-O-β-D-Mannopyranosyl-Alpha-D-Mannopyranoside

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Properties Simple | Detailed

Formula C22H28O13
IUPAC Name 2-[6-[5-hydroxy-1-(2-oxovinyl)penta-2,4-diynoxy]-4,5-dioxo-2-(oxomethylene)tetrahydropyran-3-yl]oxy-6-(oxomethylene)tetrahydropyran-3,4,5-trione
Molecular Mass 500.450 g·mol−1
Heat of Formation -2218.6 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 542.69 Å 3
Surface Area 446.83 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-((4-o-beta-d-mannopyranosyl-alpha-d-mannopyranosyl)oxy)-4-methyl-
  • 4-methylumbelliferyl alpha-mannobioside
  • 7-[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4-methyl-chromen-2-one
  • 7-[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
  • 7-[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methyl-chromen-2-one
  • 7-[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methyl-coumarin
  • 7-[[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-4-methyl-2-chromenone
CAS Number(s)
  • 66068-40-4
InChIKey PRTGXBPFDYMIJH-DWTLARBISA-N
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