N-(3',6'-Dihydroxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-5-Yl)-β-Alaninamide

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Properties Simple | Detailed

Formula C23H18N2O6
IUPAC Name 3-amino-n-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)propanamide
Molecular Mass 418.399 g·mol−1
Heat of Formation -694.7 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 455.44 Å 3
Surface Area 401.87 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-n-(3',6'-dihydroxy-3-keto-spiro[isobenzofuran-1,9'-xanthene]-5-yl)propionamide
  • 3-amino-n-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)propanamide
  • 3-amino-n-(3',6'-dihydroxy-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-5-yl)propanamide
  • 3-amino-n-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)propanamide
  • 3-amino-n-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)propanamide
  • n-(2-aminoethylcarbonyl)-5(6)-aminofluorescein
  • n-aec-af
  • propanamide, 3-amino-n-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-5-yl)-
CAS Number(s)
  • 73857-22-4
InChIKey XKJFDSHIDLKXTF-UHFFFAOYSA-N
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