Isopropyl N-[(R)-({[(2R)-1-(6-Amino-9H-Purin-9-Yl)-2-Propanyl]Oxy}Methyl)(Phenoxy)Phosphoryl]-L-Alaninate

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Properties Simple | Detailed

Formula C21H29N6O5P
IUPAC Name isopropyl (2s)-2-[[[(1r)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 476.466 g·mol−1
Heat of Formation -814.5 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 561.75 Å 3
Surface Area 454.53 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey LDEKQSIMHVQZJK-GNGHXOLXSA-N
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