[(2R,3S,5R)-3-Hydroxy-5-[6-[[(1R)-2-Hydroxy-1-Phenyl-Ethyl]Amino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C18H24N5O7P |
IUPAC Name | [(2r,3s,5r)-3-hydroxy-5-[6-[[(1r)-2-hydroxy-1-phenyl-ethyl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 453.386 g·mol−1 |
Heat of Formation | -1208.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.73 ± 1.08 D |
Volume | 489.09 Å 3 |
Surface Area | 432.14 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -0.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | PUJUJNGEVFRCND-BYNSBNAKSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |