(2S,2'S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-Bis(4-Hydroxyphenyl)-2,2',3,3'-Tetrahydro-4H,4'H-3,8'-Bichromene-4,4'-Dione

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Properties Simple | Detailed

Formula C30H22O10
IUPAC Name (2s,3r)-3-[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Molecular Mass 542.490 g·mol−1
Heat of Formation -1438.0 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 587.46 Å 3
Surface Area 432.18 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chroman-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s,3r)-3-[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-chromanyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone
  • (2s,3r)-3-[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s,3r)-3-[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (3,8'-bi-2h-1-benzopyran)-4,4'(3h,3'h)-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2s,2's,3r)-
  • [3,8'-bi-2h-1-benzopyran]-4,4'(3h,3'h)-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2s,2's,3r)-
  • gb-1a
CAS Number(s)
  • 19360-72-6
InChIKey MXEIKUWMKSYEII-DETITRACSA-N
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