9-Amino-12-(2-Amino-1-Hydroxy-2-Oxoethyl)-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 | C22H24N4O8 |
IUPAC Name | (9r,12s,15r)-9-amino-12-[(1s)-2-amino-1-hydroxy-2-oxo-ethyl]-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 | 472.448 g·mol−1 |
Heat of Formation | -1237.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.67 ± 1.08 D |
Volume | 543.49 Å 3 |
Surface Area | 410.73 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | -0.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | BIINTWLXGRHBOS-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 |