N-(3-Methylbutyl)Adenosine 5'-(Dihydrogen Phosphate)

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Formula C15H24N5O7P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(isopentylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 417.354 g·mol−1
Heat of Formation -1404.7 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 459.04 Å 3
Surface Area 409.54 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey GZJXCRHEMLAMRA-SDBHATRESA-N
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