N-[(3',6'-Dihydroxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-5-Yl)Carbamothioyl]-N~2~-(2,4-Dinitrophenyl)-L-Lysinamide

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Properties Simple | Detailed

Formula C33H28N6O10S
IUPAC Name 5'-[(2s)-2-(2,4-dinitrobenzene-3,5,6-triid-1-yl)azanidyl-6-λ1-azanyl-hexanoyl]azanidylcarbothioylazanidyl-3'-oxo-spiro[2,4,5,7-tetrahydroxanthene-2,4,5,7-tetraide-9,1'-isobenzofuran]-3,6-diolate
Molecular Mass 700.675 g·mol−1
Heat of Formation -602.0 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 761.09 Å 3
Surface Area 641.0 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-amino-n-[(3',6'-dihydroxy-3-keto-spiro[isobenzofuran-1,9'-xanthene]-5-yl)thiocarbamoyl]-2-[(2,4-dinitrophenyl)amino]hexanamide
  • (2s)-6-amino-n-[(3',6'-dihydroxy-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioyl]-2-[(2,4-dinitrophenyl)amino]hexanamide
  • (2s)-6-amino-n-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)carbamothioyl]-2-[(2,4-dinitrophenyl)amino]hexanamide
  • (2s)-6-amino-n-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioyl]-2-[(2,4-dinitrophenyl)amino]hexanamide
  • (2s)-6-amino-n-[[(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)amino]-thioxomethyl]-2-[(2,4-dinitrophenyl)amino]hexanamide
  • 2,4-dinitrophenol-lysine-fluorescein conjugate
  • dnp-lys-fluorescein
CAS Number(s)
  • 134649-45-9
InChIKey PUVJFQVGTUEHHN-SANMLTNESA-N
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