5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Oxo-4H-Chromen-7-Yl 2-O-β-D-Mannopyranosyl-β-D-Allopyranoside

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Properties Simple | Detailed

Formula C28H32O16
IUPAC Name (2r)-4-(2-hydroperoxyethynyl)-3,6',7-tris(oxomethylene)spiro[pyrano[2,3-b][1,4]dioxepine-2,2'-tetrahydropyran]-3',4',5',8,9-pentone; molecular oxygen
Molecular Mass 624.544 g·mol−1
Heat of Formation -2642.3 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 669.65 Å 3
Surface Area 527.54 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-((2-o-beta-d-mannopyranosyl-beta-d-allopyranosyl)oxy)-
  • 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-((2-o-beta-d-mannopyranosyl-beta-d-allopyranosyl)oxy)-4h-1-benzopyran-4-one
  • 7-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
  • 7-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
  • 7-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
  • 7-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
  • 7-[[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone
  • c-7-mpap
  • chrysoeriol-7-o-(2''-o-mannopyranosyl)allopyranoside
CAS Number(s)
  • 137809-96-2
InChIKey PRAAWOPIZHEJGG-OFPXXEJZSA-N
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