Methyl N-[{[(2S,5R)-5-(6-Amino-9H-Purin-9-Yl)-2,5-Dihydro-2-Furanyl]Methoxy}(Phenoxy)Phosphoryl]-L-Alaninate

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Properties Simple | Detailed

Formula C20H23N6O6P
IUPAC Name methyl (2s)-2-[[[(2s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 474.407 g·mol−1
Heat of Formation -848.3 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 519.03 Å 3
Surface Area 412.84 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey ZBSURXIIEJERBJ-CJCZPYSJSA-N
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