(3S)-3-Acetamido-4-[[3-Aminopropoxy-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl]Amino]-4-Oxo-Butanoic Acid

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Formula C19H29N8O10P
IUPAC Name (3s)-3-acetamido-4-[[3-aminopropoxy-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]-4-oxo-butanoic acid
Molecular Mass 560.455 g·mol−1
Heat of Formation -1857.2 ± 16.7 kJ·mol−1
Dipole Moment 8.66 ± 1.08 D
Volume 605.33 Å 3
Surface Area 493.38 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey URKOZQGXGDTQDT-HRINIYQMSA-O
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