2-(6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)-5-{[2-({5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}Amino)Ethyl]Carbamoyl}Benzoic Acid

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Properties Simple | Detailed

Formula C33H33N4O8S+
IUPAC Name 5-[2-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylcarbamoyl]-2-(3-hydroxy-6-oxo-xanthen-10-ium-9-yl)benzoic acid
Molecular Mass 645.702 g·mol−1
Heat of Formation -1049.3 ± 16.7 kJ·mol−1
Dipole Moment 9.00 ± 1.08 D
Volume 729.71 Å 3
Surface Area 619.66 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-[5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoylamino]ethylcarbamoyl]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid
  • 5-[2-[5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoylamino]ethylcarbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
  • 5-[[2-[[5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-1-oxopentyl]amino]ethylamino]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid
  • biotin (5-fluorescein) conjugate
  • n-(biotinylamidoethyl)-fluorescein-5-carboxamide
  • n-(fluorescein-5-carbamidoethyl)biotinamide
InChIKey DFUFXKZUEOKPSD-LFERIPGTSA-N
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