(1R)-1,5-Anhydro-1-[7-Hydroxy-5-Methyl-4-Oxo-2-(2-Oxopropyl)-4H-Chromen-8-Yl]Glucitol

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Properties Simple | Detailed

Formula C19H22O9
IUPAC Name 2-acetonyl-7-hydroxy-5-methyl-8-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 394.373 g·mol−1
Heat of Formation -1557.1 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 427.25 Å 3
Surface Area 340.14 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetonyl-7-hydroxy-5-methyl-8-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 2-acetonyl-7-hydroxy-5-methyl-8-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 2-acetonyl-7-hydroxy-5-methyl-8-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • 7-hydroxy-5-methyl-2-(2-oxo-propyl)-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-chromen-4-one
  • 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • d-glucitol, 1,5-anhydro-1-c-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4h-1-benzopyran-8-yl]-, (1s)-
InChIKey HKIKAXXIWJHWLY-PITHAFQJSA-N
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