3-[(2R)-2,3-Dihydroxypropyl]-6-Fluoro-5-[(2-Fluoro-4-Iodophenyl)Amino]-8-Methylpyrido[2,3-D]Pyrimidine-4,7(3H,8H)-Dione
Properties
Property | Value |
---|---|
Formula | C17H15F2IN4O4 |
IUPAC Name | 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodo-anilino)-8-methyl-pyrido[2,3-d]pyrimidin-1-ium-4a-ide-4,7-dione |
Molecular Mass | 504.227 g·mol−1 |
Heat of Formation | -778.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.84 ± 1.08 D |
Volume | 446.11 Å 3 |
Surface Area | 388.67 Å 2 |
HOMO Energy | -8.69 ± 0.55 eV |
LUMO Energy | -1.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | RCLQNICOARASSR-SECBINFHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F I H O N |