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

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Properties Simple | Detailed

Formula C13H19N7O5
IUPAC Name 2-[[(2r,3s,4r,5r)-5-[6-amino-8-(methylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]acetamide
Molecular Mass 353.334 g·mol−1
Heat of Formation -663.1 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 386.34 Å 3
Surface Area 329.07 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey HLEILKOJGAXYNC-JJNLEZRASA-O
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