9-(2,3-O-{4-[(6-Aminohexyl)Amino]-1-Methyl-4-Oxobutylidene}-5-O-Phosphono-β-D-Glycero-Pentofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C21H34N6O9P
IUPAC Name [(2r,3ar,4r,6r,6ar)-2-[3-(6-aminohexylamino)-3-oxo-propyl]-2-methyl-4-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Molecular Mass 545.503 g·mol−1
Heat of Formation -1741.9 ± 16.7 kJ·mol−1
Dipole Moment 15.30 ± 1.08 D
Volume 625.53 Å 3
Surface Area 518.17 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey CVBURHMMTROINS-GNPZUCITSA-N
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