Formula |
C20H26NO6P |
IUPAC Name |
3-[(1r)-1-[[(2s)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]amino]ethyl]benzoic acid |
Molecular Mass |
407.397 g·mol−1 |
Heat of Formation |
-1125.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.47 ± 1.08 D |
Volume |
491.17 Å 3 |
Surface Area |
418.98 Å 2 |
HOMO Energy |
-8.57 ± 0.55 eV |
LUMO Energy |
-0.76 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[(1r)-1-[[(2s)-2-hydroxy-3-[hydroxy-(4-methoxybenzyl)phosphoryl]propyl]amino]ethyl]benzoic acid
- 3-[(1r)-1-[[(2s)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]amino]ethyl]benzoic acid
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InChIKey |
BNLKCYMEXMEKCJ-KDOFPFPSSA-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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