2-[(2S)-7-Oxo-2,3-Dihydro-7H-Furo[3,2-G]Chromen-2-Yl]-2-Propanyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H24O9
IUPAC Name (2s)-2-[1-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular Mass 408.399 g·mol−1
Heat of Formation -1463.6 ± 16.7 kJ·mol−1
Dipole Moment 10.62 ± 1.08 D
Volume 452.76 Å 3
Surface Area 380.22 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-marmesinin
  • (2s)-2-[1-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
  • (2s)-2-[1-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
  • (2s)-2-[1-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
  • (2s)-2-[2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
  • (s)-2-(1-(beta-d-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7h-furo(3,2-g)(1)benzopyran-7-one
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-d-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (s)-
  • ammajin
  • ammijin
CAS Number(s)
  • 27497-13-8
  • 495-30-7
InChIKey HXCGUCZXPFBNRD-NEDVQNLSSA-N
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