2-[[(2R,3S,4R,5R)-5-(6-Amino-8-Methyl-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Amino]Acetamide

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Properties Simple | Detailed

Formula C14H21N7O4
IUPAC Name 2-[[(2r,3s,4r,5r)-5-(6-amino-8-methyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]acetamide
Molecular Mass 351.361 g·mol−1
Heat of Formation -503.1 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 398.69 Å 3
Surface Area 335.94 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey FYTZGVPORZZRHD-FRJWGUMJSA-O
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