[(2R,3S,4R,5R)-5-[6-(Cyclopentylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C15H24N5O7P |
IUPAC Name | [(2r,3s,4r,5r)-5-[6-(cyclopentylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 417.354 g·mol−1 |
Heat of Formation | -1354.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.90 ± 1.08 D |
Volume | 445.47 Å 3 |
Surface Area | 395.91 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -0.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | PGIVSGBAHHMUCH-SDBHATRESA-O |
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Elements | P C H O N |