Formula |
C20H23N7O6 |
IUPAC Name |
(2s)-2-[[4-[2-(2-amino-4-oxo-7,8-dihydropteridin-1-ium-3-id-6-yl)ethylamino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
457.440 g·mol−1 |
Heat of Formation |
-793.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
13.04 ± 1.08 D |
Volume |
520.19 Å 3 |
Surface Area |
459.56 Å 2 |
HOMO Energy |
-8.44 ± 0.55 eV |
LUMO Energy |
-0.82 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[2-(2-amino-4-keto-7,8-dihydro-1h-pteridin-6-yl)ethylamino]benzoyl]amino]glutaric acid
- (2s)-2-[[4-[2-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
- (2s)-2-[[4-[2-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid
- (2s)-2-[[[4-[2-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
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InChIKey |
VEBDSVCWCXWVOS-ZDUSSCGKSA-N |
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Elements |
H
C
O
N
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