(3S)-3-Amino-4-[[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Oxo-Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C14H19N6O9P |
IUPAC Name | (3s)-3-amino-4-[[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-oxo-butanoic acid |
Molecular Mass | 446.309 g·mol−1 |
Heat of Formation | -1700.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.71 ± 1.08 D |
Volume | 463.26 Å 3 |
Surface Area | 408.9 Å 2 |
HOMO Energy | -9.03 ± 0.55 eV |
LUMO Energy | -0.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | VSCCSXZJMGBYCI-RBXMUDONSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |