[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] (2S)-2-Acetamido-3-Phenyl-Propanoate
Properties
Property | Value |
---|---|
Formula | C21H24N6O6 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] (2s)-2-acetamido-3-phenyl-propanoate |
Molecular Mass | 456.452 g·mol−1 |
Heat of Formation | -749.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.67 ± 1.08 D |
Volume | 517.95 Å 3 |
Surface Area | 417.63 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | -0.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | RLOUYLZKGVLXAX-SWQDORGXSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |