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
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Synonyms
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- 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
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InChIKey |
ORMJWSHZQMNLEH-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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