(2E)-2-{[(Z)-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4(1H)-Pyridinylidene}Methyl]Imino}-4-(Methylsulfanyl)Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H19N2O7PS |
| IUPAC Name | [(4z)-4-[[(e)-(1-carboxy-3-methylsulfanyl-prop-2-ynylidene)amino]methylene]-5-hydroxy-6-methyl-piperidine-2,3,5,6-tetraid-3-yl]methoxy-oxido-oxo-phosphonium; hydron; hydrate |
| Molecular Mass | 378.338 g·mol−1 |
| Heat of Formation | 664.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.56 ± 1.08 D |
| Volume | 341.83 Å 3 |
| Surface Area | 289.41 Å 2 |
| HOMO Energy | -7.67 ± 0.55 eV |
| LUMO Energy | -2.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UNHRYMFMFMQCNK-JNVWRRHBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |