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

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Properties Simple | Detailed

Formula C19H24N5O8P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 3-(4-hydroxyphenyl)propyl hydrogen phosphate
Molecular Mass 481.396 g·mol−1
Heat of Formation -1412.6 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 526.03 Å 3
Surface Area 430.96 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey FBJCLRQPOAMFNL-NVQRDWNXSA-O
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