[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Formamido-4-Methylsulfanyl-Butanoate
Properties
Property | Value |
---|---|
Formula | C16H23N6O9PS |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-formamido-4-methylsulfanyl-butanoate |
Molecular Mass | 506.427 g·mol−1 |
Heat of Formation | -1721.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.79 ± 1.08 D |
Volume | 538.06 Å 3 |
Surface Area | 392.9 Å 2 |
HOMO Energy | -8.43 ± 0.55 eV |
LUMO Energy | -1.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | CZFNWWIHOKWIRQ-OPYVMVOTSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |