(3S,8S,11S,16R,17S,18S)-13,16,17,18-Tetrahydroxy-19-(8-Hydroxy-2,4-Dioxo-3,4-Dihydropyrimido[4,5-B]Quinolin-10(2H)-Yl)-11-Methyl-5,10-Dioxo-12,14-Dioxa-4,9-Diaza-13-Phosphanonadecane-1,3,8-Tricarboxylic Acid 13-Oxide
Properties
| Property | Value |
|---|---|
| Formula | C29H36N5O18P |
| IUPAC Name | (2s)-2-[[(4s)-4-carboxy-4-[[(2s)-2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]butanoyl]amino]pentanedioic acid |
| Molecular Mass | 773.593 g·mol−1 |
| Heat of Formation | 187.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.90 ± 1.08 D |
| Volume | 703.89 Å 3 |
| Surface Area | 507.47 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -2.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GEHSZWRGPHDXJO-NALJQGANSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |