[(2R,3S,4R,5R)-5-[6-(Benzylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C17H20N5O7P |
IUPAC Name | [(2r,3s,4r,5r)-5-[6-(benzylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 437.344 g·mol−1 |
Heat of Formation | -1201.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.46 ± 1.08 D |
Volume | 467.43 Å 3 |
Surface Area | 411.11 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -0.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | IDYSKLGHIZMAGK-LSCFUAHRSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |