8-Hydroxy-2,4-Dioxo-10-[(3S,8S,11S,13R,16R,17S,18S)-1,3,8-Tricarboxy-13,16,17,18-Tetrahydroxy-11-Methyl-13-Oxido-5,10-Dioxo-12,14-Dioxa-4,9-Diaza-13Lambda~5~-Phosphanonadecan-19-Yl]-1,2,3,4-Tetrahydropyrimido[4,5-B]Quinolin-10-Ium
Properties
| Property | Value |
|---|---|
| Formula | C29H31N5O18P----- |
| IUPAC Name | 2-[[4-carboxylato-4-[2-[oxido-[2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-pyrimido[4,5-b]quinolin-3-id-10-yl)pentoxy]phosphoryl]oxypropanoylamino]butanoyl]amino]pentanedioate |
| Molecular Mass | 768.553 g·mol−1 |
| Heat of Formation | -24.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 19.76 ± 1.08 D |
| Volume | 808.07 Å 3 |
| Surface Area | 696.94 Å 2 |
| HOMO Energy | -7.44 ± 0.55 eV |
| LUMO Energy | -3.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BEUZRXRCQLIWPE-NALJQGANSA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |