7-{(3S)-4-Methoxy-3-[(Methoxycarbonyl)Amino]-4-Oxobutyl}-4,6-Dimethyl-3-(5-O-Phosphono-β-D-Ribofuranosyl)-3,4-Dihydro-9H-Imidazo[1,2-A]Purin-9-One
Properties
Property | Value |
---|---|
Formula | C21H29N6O12P |
IUPAC Name | methyl (2s)-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-4,6-dimethyl-9-oxo-imidazo[1,2-a]purine-1,5-diium-3a,7-diid-7-yl]-2-(methoxycarbonylamino)butanoate |
Molecular Mass | 588.462 g·mol−1 |
Heat of Formation | -2166.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.06 ± 1.08 D |
Volume | 625.26 Å 3 |
Surface Area | 508.14 Å 2 |
HOMO Energy | -8.45 ± 0.55 eV |
LUMO Energy | -0.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | WOMRPCAFQVCGCI-QHOAOGIMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |