N-[3-(Propionylamino)Propyl]Guanosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C16H26N6O12P2
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-oxo-2-[3-(propanoylamino)propylamino]-1h-purin-9-yl]tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 556.358 g·mol−1
Heat of Formation -226.1 ± 16.7 kJ·mol−1
Dipole Moment 9.26 ± 1.08 D
Volume 364.35 Å 3
Surface Area 402.08 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
InChIKey CGASFCBZSMWGLJ-PMXXHBEXSA-N
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