2-[(Z)-(4-Carboxy-2-Hydroxy-4-{(3R,4R)-3-[(4-Hydroxybenzoyl)Amino]-2,3,4,5-Tetrahydro-1H-Azepin-4-Yl}-6-Oxo-2-Cyclohexen-1-Ylidene)(Hydroxy)Methyl]-3-Hydroxybenzoic Acid
Properties
Property | Value |
---|---|
Formula | C28H26N2O10 |
IUPAC Name | (1s,4z)-4-[(2-carboxy-6-hydroxy-phenyl)-hydroxy-methylene]-3-hydroxy-1-[(3r,4r)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1h-azepin-4-yl]-5-oxo-cyclohex-2-ene-1-carboxylic acid |
Molecular Mass | 550.513 g·mol−1 |
Heat of Formation | -1481.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.41 ± 1.08 D |
Volume | 598.79 Å 3 |
Surface Area | 482.48 Å 2 |
HOMO Energy | -8.57 ± 0.55 eV |
LUMO Energy | -1.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | AAHDJEGSJGYRGS-UMXJQXRZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |