3-[6-(Hydroxymethyl)-1,6-Dihydro-9H-Purin-9-Yl]-2-Nonanol

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Formula C15H26N4O2
IUPAC Name (2r,3s)-3-[(6s)-6-(hydroxymethyl)-3,6-dihydropurin-9-ium-4-ylium-9-yl]nonan-2-ol
Molecular Mass 294.393 g·mol−1
Heat of Formation -310.4 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 384.83 Å 3
Surface Area 336.18 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
InChIKey PXXWVZGEZSEZAH-UPJWGTAASA-N
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