[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino] [(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 C13H20N7O9P
IUPAC Name [[(2s)-2-amino-3-hydroxy-propanoyl]amino] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 449.313 g·mol−1
Heat of Formation -1536.7 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 460.08 Å 3
Surface Area 405.16 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey YYLYROMJAVLAEL-YTMOPEAISA-O
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