[(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

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Properties Simple | Detailed

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-ium-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
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