N-(6-Aminohexylidene)-2'-Deoxyadenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C16H25N6O6P
IUPAC Name [(2r,3s,5r)-5-[6-[(e)-6-aminohexylideneamino]purin-9-ium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 428.380 g·mol−1
Heat of Formation -1103.2 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 485.26 Å 3
Surface Area 393.61 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey XMKJCXVUCYHEDC-RZNKUAFMSA-N
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