[(2S,3S,4R,5R)-3-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-5-[6-(Dimethylamino)Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C22H30N7O8P
IUPAC Name [(2s,3s,4r,5r)-3-[[(2s)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 551.489 g·mol−1
Heat of Formation -1398.9 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 607.87 Å 3
Surface Area 517.05 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey QCGXJFVNHJBAGB-NVWDDTSBSA-O
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