Formula |
C19H18N6O6 |
IUPAC Name |
(2s)-2-[[4-[(4-oxo-1h-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
426.383 g·mol−1 |
Heat of Formation |
-702.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.77 ± 1.08 D |
Volume |
472.1 Å 3 |
Surface Area |
429.63 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-1.68 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[(4-keto-1h-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
- (2s)-2-[[4-[(4-oxo-1h-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
- (2s)-2-[[4-[(4-oxo-1h-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
- (2s)-2-[[oxo-[4-[(4-oxo-1h-pteridin-6-yl)methylamino]phenyl]methyl]amino]pentanedioic acid
- 2-dafa
- 2-deaminofolic acid
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CAS Number(s) |
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InChIKey |
ANHVSUORPFCWSR-ZDUSSCGKSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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