5-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}-2,4,4-Pyrrolidinetricarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C14H17N2O11P |
IUPAC Name | (2s,5s)-5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]pyrrolidine-2,4,4-tricarboxylic acid |
Molecular Mass | 420.265 g·mol−1 |
Heat of Formation | -2213.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.73 ± 1.08 D |
Volume | 421.12 Å 3 |
Surface Area | 341.94 Å 2 |
HOMO Energy | -9.34 ± 0.55 eV |
LUMO Energy | -0.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | FWQTWRXMADAWFI-XVKPBYJWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |