(3R,5S,6E)-7-{4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(1-Methyl-1H-1,2,4-Triazol-5-Yl)Amino]-5-Pyrimidinyl}-3,5-Dihydroxy-6-Heptenoic Acid
Properties
Property | Value |
---|---|
Formula | C24H29FN6O4 |
IUPAC Name | (e,3r,5s)-7-[4-(4-fluorophenyl)-2-[methyl-(2-methyl-1,2,4-triazol-3-yl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid |
Molecular Mass | 484.523 g·mol−1 |
Heat of Formation | -553.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.36 ± 1.08 D |
Volume | 579.75 Å 3 |
Surface Area | 449.02 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | 2.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | QAMJBKXUQQOLPQ-AQRBRUGDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |