Formula |
C20H25N7O7 |
IUPAC Name |
(2s)-2-[[4-[[(4as,6s)-2-amino-4a-hydroxy-5-methyl-4-oxo-6,7-dihydro-1h-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
475.455 g·mol−1 |
Heat of Formation |
-967.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.33 ± 1.08 D |
Volume |
533.51 Å 3 |
Surface Area |
461.0 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
-1.12 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GJGYABXPRIKIEP-KQHSUYLTSA-N |
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Elements |
H
C
O
N
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