5'-O-[(S)-{[(2S)-2-Amino-6-(Propionylamino)Hexanoyl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C19H30N7O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2s)-2-amino-6-(propanoylamino)hexanoate
Molecular Mass 531.457 g·mol−1
Heat of Formation -1777.3 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 593.12 Å 3
Surface Area 506.89 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey DOJLWXPRSAYJFD-MBRXSIFGSA-N
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