| Formula |
C43H42F2N4O7P2 |
| IUPAC Name |
[6-[4-[(2r)-2-(benzotriazol-1-ium-1-yl)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-phenyl-propyl]phenyl]-2-[(1s)-1-methoxy-3-methyl-butyl]-8-quinolyl]phosphonic acid |
| Molecular Mass |
826.761 g·mol−1 |
| Heat of Formation |
-1545.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.00 ± 1.08 D |
| Volume |
936.41 Å 3 |
| Surface Area |
715.39 Å 2 |
| HOMO Energy |
-9.22 ± 0.55 eV |
| LUMO Energy |
1.83 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-[4-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-[(1s)-1-methoxy-3-methylbutyl]quinolin-8-ylphosphonic acid
- [[4-[(2r)-2-(1-benzotriazolyl)-3-[4-[2-[(1s)-1-methoxy-3-methylbutyl]-8-phosphono-6-quinolyl]phenyl]-2-phenylpropyl]phenyl]-difluoromethyl]phosphonic acid
- [[4-[(2r)-2-(benzotriazol-1-yl)-3-[4-[2-[(1s)-1-methoxy-3-methyl-butyl]-8-phosphono-6-quinolyl]phenyl]-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid
- [[4-[(2r)-2-(benzotriazol-1-yl)-3-[4-[2-[(1s)-1-methoxy-3-methyl-butyl]-8-phosphono-quinolin-6-yl]phenyl]-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid
- [[4-[(2r)-2-(benzotriazol-1-yl)-3-[4-[2-[(1s)-1-methoxy-3-methylbutyl]-8-phosphonoquinolin-6-yl]phenyl]-2-phenylpropyl]phenyl]-difluoromethyl]phosphonic acid
|
| InChIKey |
USHZWXCUJLENMD-KWLHKINFSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
P
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