[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 2-Aminobenzoate
Properties
Property | Value |
---|---|
Formula | C17H23N6O13P3 |
IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate |
Molecular Mass | 612.318 g·mol−1 |
Heat of Formation | -2939.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.17 ± 1.08 D |
Volume | 599.08 Å 3 |
Surface Area | 502.04 Å 2 |
HOMO Energy | -8.81 ± 0.55 eV |
LUMO Energy | -1.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | WTAVOYJIUMZCCT-YNEHKIRRSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |