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

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Properties Simple | Detailed

Formula C17H20N5O7P
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-benzyloxy-purine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 437.344 g·mol−1
Heat of Formation -1157.1 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 470.37 Å 3
Surface Area 430.29 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
InChIKey SVEUXSPVRCGISR-YNEHKIRRSA-O
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