Formula |
C20H23N7O6 |
IUPAC Name |
(2s)-2-[[4-[[(7r)-2-amino-7-methyl-4-oxo-7,8-dihydro-1h-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
457.440 g·mol−1 |
Heat of Formation |
-788.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.95 ± 1.08 D |
Volume |
516.6 Å 3 |
Surface Area |
462.22 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
2.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FMNVDMRUKQPXQP-CABZTGNLSA-O |
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Elements |
H
C
O
N
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