N-(6-Acetamidohexyl)-3',6'-Dihydroxy-1-Oxo-Spiro[Isobenzofuran-3,9'-Xanthene]-5-Carboxamide

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Properties Simple | Detailed

Formula C29H28N2O7
IUPAC Name n-(6-acetamidohexyl)-3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxamide
Molecular Mass 516.542 g·mol−1
Heat of Formation -1047.5 ± 16.7 kJ·mol−1
Dipole Moment 8.74 ± 1.08 D
Volume 597.95 Å 3
Surface Area 443.23 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • n-(6-acetamidohexyl)-3',6'-dihydroxy-1-keto-spiro[isobenzofuran-3,9'-xanthene]-5-carboxamide
  • n-(6-acetamidohexyl)-3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxamide
  • n-(6-acetamidohexyl)-3',6'-dihydroxy-1-oxo-spiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
  • n-(6-acetamidohexyl)-3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxamide
InChIKey NYDPRVGMTFCAQC-UHFFFAOYSA-N
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