9-Amino-12-[Carboxy(Hydroxy)Methyl]-4-Methoxy-10,13-Dioxo-2-Oxa-11,14-Diazatricyclo[15.2.2.1~3,7~]Docosa-1(19),3(22),4,6,17,20-Hexaene-15-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H25N3O9 |
| IUPAC Name | 9-amino-12-[carboxy(hydroxy)methyl]-4-methoxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1 3,7 ]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxylic acid |
| Molecular Mass | 487.459 g·mol−1 |
| Heat of Formation | -1400.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.28 ± 1.08 D |
| Volume | 559.6 Å 3 |
| Surface Area | 424.62 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -0.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OMRYGLOMNVJTNU-LNMJFAINSA-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 |