(E)-(2-Bromoacetyl)-[3-[1-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-4-Phosphooxy-Tetrahydrofuran-2-Yl]-2,4-Dioxo-Pyrimidin-5-Yl]Propylidene]Ammonium

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Properties Simple | Detailed

Formula C14H20BrN3O10P
IUPAC Name (e)-(2-bromoacetyl)-[3-[1-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-4-phosphooxy-tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]propylidene]ammonium
Molecular Mass 501.200 g·mol−1
Heat of Formation -1871.2 ± 16.7 kJ·mol−1
Dipole Moment 10.21 ± 1.08 D
Volume 475.6 Å 3
Surface Area 404.57 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey YCGXYIHTSUEJTN-IMWLUMHESA-L
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Elements C H O N P Br