[(2R,3S,5R)-5-[6-Amino-2-(Methylamino)Purine-1,3,7-Triium-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H17N6O6P
IUPAC Name [(2r,3s,5r)-5-[6-amino-2-(methylamino)purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 360.263 g·mol−1
Heat of Formation -1143.4 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 375.94 Å 3
Surface Area 338.03 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
InChIKey KFIOFHPIBCPJCK-RRKCRQDMSA-O
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