Formula |
C21H20N8O6 |
IUPAC Name |
(2s)-2-[[(2s)-2-[(2-amino-4-oxo-pteridin-1-ium-3-ide-7-carbonyl)amino]-3-hydroxy-propanoyl]amino]-3-(2h-indol-1-ium-2-ylium-3-yl)propanoic acid |
Molecular Mass |
480.434 g·mol−1 |
Heat of Formation |
-603.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.62 ± 1.08 D |
Volume |
527.53 Å 3 |
Surface Area |
449.83 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
-1.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PVENGVGTXKBGQJ-JSGCOSHPSA-N |
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Elements |
H
C
O
N
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