(1S)-1,5-Anhydro-1-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-4-Oxo-3,4-Dihydro-2H-Chromen-6-Yl]-D-Glucitol

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Properties Simple | Detailed

Formula C21H22O12
IUPAC Name 4-[(2r,3r)-3,5,7-trihydroxy-4-oxo-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chroman-2-yl]benzene-6-ide-1,2-diolate
Molecular Mass 466.392 g·mol−1
Heat of Formation -1610.6 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 482.23 Å 3
Surface Area 405.17 Å 2
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromanone
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chroman-4-one
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chroman-4-one
  • (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chroman-4-one
  • 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-2,3-dihydro-3,5,7-trihydroxy-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-2,3-dihydro-3,5,7-trihydroxy-
CAS Number(s)
  • 112494-39-0
InChIKey OSFCFXQMAHURHU-FWCPWLSYSA-N
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