4-({5-[(2,4-Diamino-6-Pteridinyl)Methyl]-5H-Dibenzo[B,F]Azepin-2-Yl}Oxy)Butanoic Acid

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Properties Simple | Detailed

Formula C25H23N7O3
IUPAC Name 4-[11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-3-yl]oxybutanoic acid
Molecular Mass 469.495 g·mol−1
Heat of Formation 40.0 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 538.91 Å 3
Surface Area 464.07 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-8-yl]oxybutanoic acid
  • 4-[11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-8-yl]oxybutyric acid
  • 4-[[11-[(2,4-diamino-6-pteridinyl)methyl]-8-benzo[b][1]benzazepinyl]oxy]butanoic acid
InChIKey ORMJWSHZQMNLEH-UHFFFAOYSA-N
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