Xanthinol

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Properties Simple | Detailed

Formula C13H21N5O4
IUPAC Name 7-[(2s)-2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione
Molecular Mass 311.337 g·mol−1
Heat of Formation -614.6 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 368.33 Å 3
Surface Area 299.5 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey DSFGXPJYDCSWTA-VIFPVBQESA-N
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