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 | (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 | -1879.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.19 ± 1.08 D |
| Volume | 766.94 Å 3 |
| Surface Area | 589.21 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | -0.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DMXRDQJVBMEHPP-SKEKOFGNSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |