(+)-Biotin 4-Nitrophenyl Ester

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Properties Simple | Detailed

Formula C16H19N3O5S
IUPAC Name (4-nitrophenyl) 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Molecular Mass 365.404 g·mol−1
Heat of Formation -469.5 ± 16.7 kJ·mol−1
Dipole Moment 8.94 ± 1.08 D
Volume 408.15 Å 3
Surface Area 373.61 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • ()-biotin 4-nitrophenyl ester
  • (4-nitrophenyl) 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoate
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrophenyl ester, (3as,4s,6ar)-
  • 1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrophenyl ester, (3as-(3aalpha,4beta,6aalpha))-
  • 4-nitrophenyl ()-biotinate
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valeric acid (4-nitrophenyl) ester
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid (4-nitrophenyl) ester
  • biotin-p-nitrophenyl ester
  • biotinyl-4-nitrophenyl ester
  • d-biotin p-nitrophenyl ester
CAS Number(s)
  • 33755-53-2
  • 95114-52-6
InChIKey YUDNXDTXQPYKCA-YDHLFZDLSA-N
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