| Formula |
C21H21N6O7P |
| IUPAC Name |
(2s)-2-[[2-[(5-carbamoylbenzimidazol-3-ium-2-ylium-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid |
| Molecular Mass |
500.401 g·mol−1 |
| Heat of Formation |
-1125.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.28 ± 1.08 D |
| Volume |
545.48 Å 3 |
| Surface Area |
477.54 Å 2 |
| HOMO Energy |
-9.29 ± 0.55 eV |
| LUMO Energy |
-0.99 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PEXFKSJDXSBOLP-OAHLLOKOSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
P
C
H
O
N
|
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