Formula |
C22H24N6O6 |
IUPAC Name |
(2s)-2-[[4-[(2r)-3-(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)-2-methyl-propyl]benzoyl]amino]pentanedioic acid |
Molecular Mass |
468.463 g·mol−1 |
Heat of Formation |
-877.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.74 ± 1.08 D |
Volume |
551.12 Å 3 |
Surface Area |
402.78 Å 2 |
HOMO Energy |
-9.45 ± 0.55 eV |
LUMO Energy |
-1.14 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WVWNHESCQDVDTC-ABAIWWIYSA-N |
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Links |
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Elements |
H
C
O
N
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