[(2S,3R,4R,5R)-3,4-Dihydroxy-5-[6-(3-Methylbut-2-Enylamino)Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C15H22N5O7P |
IUPAC Name | [(2s,3r,4r,5r)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 415.338 g·mol−1 |
Heat of Formation | -1342.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.47 ± 1.08 D |
Volume | 448.48 Å 3 |
Surface Area | 397.15 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | 2.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | CGYOULRFIGPZMD-APAOZMKASA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |