(2S)-2-Amino-3-(4-Azidophenyl)-N-[(2S,3S,4R,5R)-5-[6-(Dimethylamino)Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Propanamide

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Formula C21H27N10O4
IUPAC Name (2s)-2-amino-3-(4-azidophenyl)-n-[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]propanamide
Molecular Mass 483.504 g·mol−1
Heat of Formation -40.7 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 557.58 Å 3
Surface Area 465.53 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey SZWHSHNHZJMMJM-YXDKPKCJSA-O
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