(7R,8S,11R,14S)-14-Amino-11-[(2S)-3-{[N~5~-(Diaminomethylene)-L-Ornithyl]Amino}-2-Hydroxypropyl]-5,7,17-Trihydroxy-10,13-Dioxo-9,12-Diazatricyclo[14.3.1.1~2,6~]Henicosa-1(20),2(21),3,5,16,18-Hexaene-8-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H40N8O9 |
| IUPAC Name | (7r,8s,11r,14s)-14-amino-11-[(2s)-3-{[n 5 -(diaminomethylene)-l-ornithyl]amino}-2-hydroxypropyl]-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.1 2,6 ]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid |
| Molecular Mass | 644.676 g·mol−1 |
| Heat of Formation | -1512.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.59 ± 1.08 D |
| Volume | 773.63 Å 3 |
| Surface Area | 556.86 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YEUPDZRSIWXIDG-CCXUQAHUSA-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 |