[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propyl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H25N6O8P
IUPAC Name [(2s)-2-amino-3-(4-hydroxyphenyl)propyl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 496.411 g·mol−1
Heat of Formation -1444.0 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 539.5 Å 3
Surface Area 380.91 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey KSQSUQXPTMXBMY-KFAHYOAQSA-O
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