12-(3-Carbamimidamidopropyl)-6-(Carboxymethyl)-15-(4-Hydroxybenzyl)-5,8,11,14,17-Pentaoxo-1-Thia-4,7,10,13,16-Pentaazacyclooctadecane-3-Carboxylic Acid 1-Oxide
Properties
Property | Value |
---|---|
Formula | C26H36N8O11S |
IUPAC Name | (1s,3r,6s,12s,15r)-6-(carboxymethyl)-12-(3-guanidinopropyl)-15-[(4-hydroxyphenyl)methyl]-1,5,8,11,14,17-hexaoxo-1λ4-thia-4,7,10,13,16-pentazacyclooctadecane-3-carboxylic acid |
Molecular Mass | 668.676 g·mol−1 |
Heat of Formation | -1895.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.78 ± 1.08 D |
Volume | 757.95 Å 3 |
Surface Area | 589.41 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | 0.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | DMXRDQJVBMEHPP-HKNZWXBESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |