2-[(8S)-2-Oxo-8,9-Dihydro-2H-Furo[2,3-H]Chromen-8-Yl]-2-Propanyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H25O9+
IUPAC Name (8s)-8-[1-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
Molecular Mass 409.407 g·mol−1
Heat of Formation -1433.7 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 460.25 Å 3
Surface Area 385.72 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (8s)-8-[1-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
  • (8s)-8-[1-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
  • (8s)-8-[1-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
  • (8s)-8-[2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
  • 2h-furo(2,3-h)-1-benzopyran-2-one, 8-(1-(beta-d-glucopyranosyloxy)-1-methylethyl)-8,9-dihydro-, (s)-
  • columbianetin glucopyranoside
  • columbianetin-beta-d-glucopyranoside
CAS Number(s)
  • 55836-35-6
InChIKey UCJHITBUIWHISE-GGECFJTPSA-N
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