(2S,3S)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-3,4-Dihydro-2H-Chromen-3-Yl 6-Deoxy-α-L-Mannopyranoside

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Properties Simple | Detailed

Formula C21H22O11
IUPAC Name (2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one
Molecular Mass 450.393 g·mol−1
Heat of Formation -1841.7 ± 16.7 kJ·mol−1
Dipole Moment 7.21 ± 1.08 D
Volume 482.38 Å 3
Surface Area 378.39 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chroman-4-one
  • (2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one
  • (2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychroman-4-one
  • (2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-chromanone
  • (2s,3s)-taxifolin 3-rhamnoside
  • neoastilbin
CAS Number(s)
  • 29838-67-3
InChIKey ZROGCCBNZBKLEL-MFSALPCASA-N
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