Sec-Butyl 3-(6-Amino-9H-Purin-9-Yl)-2-Hydroxypropanoate

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Properties Simple | Detailed

Formula C12H17N5O3
IUPAC Name [(1r)-1-methylpropyl] (2s)-3-(6-aminopurin-9-ium-9-yl)-2-hydroxy-propanoate
Molecular Mass 279.295 g·mol−1
Heat of Formation -360.6 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 330.16 Å 3
Surface Area 297.46 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey NZGSPYJUPRILCT-SFYZADRCSA-N
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