Formula |
C25H32N8O9 |
IUPAC Name |
(2s)-2-[[(4s)-4-[[4-[[(6s)-2-amino-5-methyl-4-oxo-7,8-dihydro-6h-pteridin-1-ium-4a-ylium-6-yl]methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid |
Molecular Mass |
588.570 g·mol−1 |
Heat of Formation |
1662.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
17.76 ± 1.08 D |
Volume |
596.37 Å 3 |
Surface Area |
549.83 Å 2 |
HOMO Energy |
-8.44 ± 0.55 eV |
LUMO Energy |
-3.07 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VNEFZDDORGCJSD-JYJNAYRXSA-N |
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Links |
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Elements |
C
O
N
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