(3R,4S,5S)-5-(1,3-Benzodioxol-5-Yl)-4-(Methoxycarbonyl)-5-Methyl-2-Oxotetrahydro-3-Furancarboxylic 3,4,5-Trimethoxybenzoic Anhydride

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Properties Simple | Detailed

Formula C25H24O12
IUPAC Name o3-methyl o4-(3,4,5-trimethoxybenzoyl) (2s,3s,4r)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-tetrahydrofuran-3,4-dicarboxylate
Molecular Mass 516.451 g·mol−1
Heat of Formation -1726.3 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 558.66 Å 3
Surface Area 454.54 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxotetrahydrofuran-3,4-dicarboxylic acid o3-methyl o4-[oxo-(3,4,5-trimethoxyphenyl)methyl] ester
  • (2s,3s,4r)-2-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-tetrahydrofuran-3,4-dicarboxylic acid o3-methyl o4-(3,4,5-trimethoxybenzoyl) ester
  • 3,4-furandicarboxylic acid, 2-(1,3-benzodioxol-5-yl)tetrahydro-5-oxo-4-(3,4,5-trimethoxybenzoyl)-, dimethyl ester, (2alpha,3beta,4beta)-
  • dimethyl 2,3,4,5-tetrahydro-5-(3,4-methylenedioxyphenyl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)-3,4-furandicarboxylate
  • o3-methyl o4-(3,4,5-trimethoxybenzoyl) (2s,3s,4r)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-tetrahydrofuran-3,4-dicarboxylate
  • o3-methyl o4-(3,4,5-trimethoxybenzoyl) (2s,3s,4r)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxooxolane-3,4-dicarboxylate
  • o3-methyl o4-(3,4,5-trimethoxyphenyl)carbonyl (2s,3s,4r)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-oxolane-3,4-dicarboxylate
  • tmtm-furandicarboxylic acid
CAS Number(s)
  • 122860-98-4
InChIKey KNUDSMRWFZLOMF-OSWQYVSFSA-N
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