| Formula |
C13H24N2O7PS+ |
| IUPAC Name |
(2e)-2-[(z)-[(2s,3s,5s)-3-hydroxy-2-methyl-5-(phosphonooxymethyl)piperidin-1-ium-4-ylidene]methyl]imino-4-methylsulfanyl-butanoic acid |
| Molecular Mass |
383.378 g·mol−1 |
| Heat of Formation |
-1454.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.70 ± 1.08 D |
| Volume |
411.64 Å 3 |
| Surface Area |
341.57 Å 2 |
| HOMO Energy |
-7.80 ± 0.55 eV |
| LUMO Energy |
-1.05 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DHYXHZPFDTUYIZ-JNVWRRHBSA-O |
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| DOI |
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| Downloads |
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|
| Elements |
C
H
O
N
P
S
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