| Formula |
C13H19N2O7PS |
| IUPAC Name |
(2s)-2-[(e)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyleneamino]-4-methylsulfanyl-butanoic acid |
| Molecular Mass |
378.338 g·mol−1 |
| Heat of Formation |
-1436.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.15 ± 1.08 D |
| Volume |
470.56 Å 3 |
| Surface Area |
340.13 Å 2 |
| HOMO Energy |
-8.65 ± 0.55 eV |
| LUMO Energy |
-0.72 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
HPCOPQVFKQIVQF-DMSFABOWSA-N |
| QR Code |
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| Links |
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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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