5-{[1,3-Dihydroxy-2-(Hydroxymethyl)-2-Propanyl]Amino}-3',6'-Dihydroxy-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Properties Simple | Detailed

Formula C24H21NO8
IUPAC Name 3',6'-dihydroxy-6-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 451.425 g·mol−1
Heat of Formation -1065.7 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 493.83 Å 3
Surface Area 411.84 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3',6'-dihydroxy-6-[(2-hydroxy-1,1-dimethylol-ethyl)amino]spiro[isobenzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-6-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-1-spiro[isobenzofuran-3,9'-xanthene]one
  • 5-tris(hydroxymethyl)methylamino-2-(3,6-dihydroxy-9h-xanthen-10-yl)benzoate
  • 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3',6'-dihydroxy-spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
  • tham-fitc
CAS Number(s)
  • 156862-28-1
InChIKey JIFHBXYMVUBICH-UHFFFAOYSA-N
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