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

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Properties Simple | Detailed

Formula C20H32N7O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-(butanoylamino)hexanoate
Molecular Mass 545.483 g·mol−1
Heat of Formation -1806.1 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 609.97 Å 3
Surface Area 533.91 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey OAECZBFMQNITMX-JCQVVMGJSA-N
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