[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-[(2R,3R,4R,5R)-3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Oxy-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Oxy-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H32N5O21P3 |
IUPAC Name | [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-[(2r,3r,4r,5r)-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 771.410 g·mol−1 |
Heat of Formation | -4472.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.45 ± 1.08 D |
Volume | 762.53 Å 3 |
Surface Area | 570.34 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | -0.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | AKGCTNTVMFNXCC-GQVRRBAGSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |