[(2R,3S,5R)-5-(2-Amino-1-Methyl-6-Oxo-8H-Purine-2,3,4,5,7,8-Hexaid-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H22N5O7P
IUPAC Name [(2r,3s,5r)-5-(2-amino-1-methyl-6-oxo-8h-purine-2,3,4,5,7,8-hexaid-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 367.295 g·mol−1
Heat of Formation -1331.0 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 373.47 Å 3
Surface Area 330.1 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey GQIQEQNQLGRCMV-RRKCRQDMSA-N
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