[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-[[Hydroxy(Methoxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] (2R)-2-Amino-3-Hydroxy-Propanoate
Properties
Property | Value |
---|---|
Formula | C14H21N6O9P |
IUPAC Name | [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (2r)-2-amino-3-hydroxy-propanoate |
Molecular Mass | 448.325 g·mol−1 |
Heat of Formation | -1636.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.63 ± 1.08 D |
Volume | 467.33 Å 3 |
Surface Area | 387.36 Å 2 |
HOMO Energy | -9.11 ± 0.55 eV |
LUMO Energy | 2.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | IBXACUMKXNTAFA-KWGHVAAJSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |