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

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Formula C26H29N6O7P
IUPAC Name [(2r,3s,5r)-5-[2-amino-6-oxo-8-(pyren-1-ylamino)-1h-purine-2,3,4,5,7,8-hexaid-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 568.518 g·mol−1
Heat of Formation -1029.3 ± 16.7 kJ·mol−1
Dipole Moment 9.16 ± 1.08 D
Volume 595.11 Å 3
Surface Area 489.9 Å 2
HOMO Energy -7.73 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey OMTGOBLIMHUJJK-IPMKNSEASA-N
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