[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (2-Azaniumylacetyl) Phosphate
Properties
Property | Value |
---|---|
Formula | C12H20N6O8P+ |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2-azaniumylacetyl) phosphate |
Molecular Mass | 407.296 g·mol−1 |
Heat of Formation | -1367.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 13.37 ± 1.08 D |
Volume | 412.72 Å 3 |
Surface Area | 363.3 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -0.77 ± eV |
Point Group Symmetry | C1 |
InChIKey | MODJJGKUZIKBHM-JJNLEZRASA-P |
QR Code | Generate QR Code |
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Elements | P C H O N |