9-(5-O-{[(4-Amino-2-Ammonio-4-Oxobutanoyl)Oxy](Hydroxy)Phosphoryl}Pentofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C14H7N7O9P
IUPAC Name [3-amino-1-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxycarbonyl-3-oxo-propyl]ammonium
Molecular Mass 448.221 g·mol−1
Heat of Formation 1087.6 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 425.16 Å 3
Surface Area 362.56 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey BZHVCXQAFQWXPZ-UHFFFAOYSA-O
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