N-(3-Methyl-2-Buten-1-Yl)-5'-O-Phosphonatoadenosine

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Properties Simple | Detailed

Formula C15H22N5O7P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 415.338 g·mol−1
Heat of Formation -1340.4 ± 16.7 kJ·mol−1
Dipole Moment 9.65 ± 1.08 D
Volume 448.52 Å 3
Surface Area 382.3 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey DUISZFLWBAPRBR-APAOZMKASA-N
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