9-[(2R,3S)-2-Hydroxy-3-Nonanyl]-3,9-Dihydro-6H-Purin-6-One

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Formula C14H22N4O2
IUPAC Name 9-[(1s)-1-[(1r)-1-hydroxyethyl]heptyl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 278.350 g·mol−1
Heat of Formation -234.8 ± 16.7 kJ·mol−1
Dipole Moment 10.60 ± 1.08 D
Volume 356.3 Å 3
Surface Area 319.72 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[(1s)-1-(1-hydroxyethyl)heptyl]-3h-purin-6-one
  • 9-[(2r,3s)-2-hydroxynonan-3-yl]-3h-purin-6-one
InChIKey RSMDQPNZAPMDJC-MNOVXSKESA-N
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