Benzyl [(2S)-1-{[(2S,3S)-1-{[3-(6-Amino-9H-Purin-9-Yl)Propyl]Amino}-2-Hydroxy-1-Oxo-3-Pentanyl]Amino}-4-Methyl-1-Oxo-2-Pentanyl]Carbamate

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Properties Simple | Detailed

Formula C27H38N8O5
IUPAC Name benzyl n-[(1s)-1-[[(1s,2s)-3-[3-(6-aminopurin-9-yl)propylamino]-1-ethyl-2-hydroxy-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate
Molecular Mass 554.641 g·mol−1
Heat of Formation 2649.3 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 493.16 Å 3
Surface Area 451.93 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -3.33 ± eV
Point Group Symmetry C1
InChIKey JADHYPXMRTWESB-ONTIZHBOSA-N
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