N-(4-Butylphenyl)-2'-Deoxyguanosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C20H28N5O13P3
IUPAC Name [[(2r,3s,5r)-5-[2-(4-butylanilino)-6-oxo-3h-purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 639.383 g·mol−1
Heat of Formation 177.7 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 548.72 Å 3
Surface Area 419.74 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
InChIKey JLKDXNDMDDENMB-PMPSAXMXSA-N
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