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

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Formula C16H27N8O8P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2s)-2,6-diaminohexanoyl]amino] hydrogen phosphate
Molecular Mass 490.408 g·mol−1
Heat of Formation -1410.5 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 529.35 Å 3
Surface Area 461.95 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey YSBRZICHQGMKJW-LEJQEAHTSA-O
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