9-Amino-12-[Carboxy(Hydroxy)Methyl]-4-Hydroxy-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 | C22H23N3O9 |
| IUPAC Name | (9r,12s,15r)-9-amino-12-[(s)-carboxy(hydroxy)methyl]-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-15-carboxylic acid |
| Molecular Mass | 473.433 g·mol−1 |
| Heat of Formation | -1418.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.17 ± 1.08 D |
| Volume | 538.79 Å 3 |
| Surface Area | 408.5 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -0.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | COALYNPMIKPPCT-USJZOSNVSA-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 |