Formula |
C21H21N6O7P |
IUPAC Name |
(2r)-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 |
-1126.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.94 ± 1.08 D |
Volume |
546.0 Å 3 |
Surface Area |
470.87 Å 2 |
HOMO Energy |
-9.28 ± 0.55 eV |
LUMO Energy |
-1.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PEXFKSJDXSBOLP-HNNXBMFYSA-N |
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Links |
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Downloads |
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Elements |
P
C
H
O
N
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