7-(2-Hydroxypropyl)-3-Methyl-1-(5-Oxohexyl)-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C15H22N4O4
IUPAC Name 7-[(2s)-2-hydroxypropyl]-3-methyl-1-(5-oxohexyl)purine-2,6-dione
Molecular Mass 322.360 g·mol−1
Heat of Formation 1555.1 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 364.25 Å 3
Surface Area 343.92 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
InChIKey HNFYOKRWFUQBIE-NSHDSACASA-N
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