[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-5-[(1R,3R,3As)-3-[2-(Benzyloxy)-3-Fluorophenyl]-1-Hydroxy-10,11-Dimethyl-4,6-Dioxo-2,3,5,6-Tetrahydro-1H-Benzo[G]Pyrrolo[2,1-E]Pteridin-8(4H)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate
Properties
Property | Value |
---|---|
Formula | C43H48FN9O17P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate |
Molecular Mass | 1043.837 g·mol−1 |
Heat of Formation | 2751.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.11 ± 1.08 D |
Volume | 1048.42 Å 3 |
Surface Area | 903.3 Å 2 |
HOMO Energy | -8.55 ± 0.55 eV |
LUMO Energy | -2.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | MHNGLOZRWDKFEV-BJXRDEIQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C N O F |