| Formula |
C20H22N5O6+ |
| IUPAC Name |
(2r)-2-[[4-[2-(2-amino-4-oxo-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-5-id-5-yl)ethyl]benzoyl]amino]pentanedioic acid |
| Molecular Mass |
428.419 g·mol−1 |
| Heat of Formation |
-949.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.29 ± 1.08 D |
| Volume |
482.88 Å 3 |
| Surface Area |
361.35 Å 2 |
| HOMO Energy |
-8.99 ± 0.55 eV |
| LUMO Energy |
-0.11 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GMUBVQYOVPTOHL-CYBMUJFWSA-P |
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| DOI |
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|
| Elements |
H
C
O
N
|
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