2-[2-(2-Amino-9H-Purin-9-Yl)Ethyl]-1,3-Propanediol

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Properties Simple | Detailed

Formula C10H15N5O2
IUPAC Name 2-[2-(2-aminopurine-1,3,7-triium-9-yl)ethyl]propane-1,3-diol
Molecular Mass 237.258 g·mol−1
Heat of Formation -139.7 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 284.37 Å 3
Surface Area 262.95 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey WJOWACPJSFGNRM-UHFFFAOYSA-O
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