[(2S,3S,4R,5R)-3-[[(2S)-2-[[(2S)-2-Amino-4-Methylsulfanyl-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-(6-Aminopurin-9-Ium-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C24H33N8O8PS |
IUPAC Name | [(2s,3s,4r,5r)-3-[[(2s)-2-[[(2s)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 624.606 g·mol−1 |
Heat of Formation | -1412.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.77 ± 1.08 D |
Volume | 703.48 Å 3 |
Surface Area | 589.56 Å 2 |
HOMO Energy | -8.38 ± 0.55 eV |
LUMO Energy | -0.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | DNXAWIQQLHCDHP-FWHNRVPHSA-N |
QR Code | Generate QR Code |
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Elements | C H O N P S |