4-Deoxy-2-C-[(1-Vinyl-1H-Indol-3-Yl)Methyl]-α-L-Erythro-Hex-3-Ulofuranosonic Acid

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Properties Simple | Detailed

Formula C17H19NO6
IUPAC Name (2s)-2-[(2s,4r)-2,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-3-(1-vinyl-2h-indol-1-ium-2-ylium-3-yl)propanoic acid
Molecular Mass 333.336 g·mol−1
Heat of Formation -920.9 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 380.09 Å 3
Surface Area 325.01 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2s,4r)-2,4-dihydroxy-2-tetrahydrofuranyl]-2-hydroxy-3-(1-vinyl-3-indolyl)propanoic acid
  • (2s)-2-[(2s,4r)-2,4-dihydroxyoxolan-2-yl]-3-(1-ethenylindol-3-yl)-2-hydroxy-propanoic acid
  • (2s)-2-[(2s,4r)-2,4-dihydroxyoxolan-2-yl]-3-(1-ethenylindol-3-yl)-2-hydroxypropanoic acid
  • (2s)-2-[(2s,4r)-2,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-3-(1-vinylindol-3-yl)propanoic acid
  • (2s)-2-[(2s,4r)-2,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-3-(1-vinylindol-3-yl)propionic acid
  • 1'-ethylascorbigen
  • l-gulonic acid, 3,6-anhydro-2-c-((1-ethyl-1h-indol-3-yl)methyl)-3-c-hydroxy-, gamma-lactone
CAS Number(s)
  • 110326-15-3
InChIKey UXUSIDWAMDGXAF-JLZZUVOBSA-N
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