[1-({5-[6-(Dimethylamino)-9H-Purin-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl}Amino)-3-(4-Methoxyphenyl)-1-Oxo-2-Propanyl]Phosphoramidic Acid
Properties
Property | Value |
---|---|
Formula | C22H30N7O8P |
IUPAC Name | [[(1r)-2-[[(2r,3r,4r,5r)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]amino]phosphonic acid |
Molecular Mass | 551.489 g·mol−1 |
Heat of Formation | 1386.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.25 ± 1.08 D |
Volume | 541.17 Å 3 |
Surface Area | 480.63 Å 2 |
HOMO Energy | -8.77 ± 0.55 eV |
LUMO Energy | -2.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | FHDMBNGCWMYGNF-NOQVZLDJSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |