Sophoricoside

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Properties Simple | Detailed

Formula C21H21O10+
IUPAC Name 5,7-dihydroxy-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
Molecular Mass 433.385 g·mol−1
Heat of Formation -1471.4 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 472.51 Å 3
Surface Area 403.92 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • 5,7-dihydroxy-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
  • 5,7-dihydroxy-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone
  • 5,7-dihydroxy-3-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone
InChIKey ISQRJFLLIDGZEP-CMWLGVBASA-N
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