Diethyl (4-{[({[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Carbonyl}Amino)Acetyl]Amino}Benzyl)Phosphonate

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Properties Simple | Detailed

Formula C22H29N4O10P++
IUPAC Name (2s,3s,4r,5r)-n-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxo-ethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 540.460 g·mol−1
Heat of Formation -1945.0 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 608.25 Å 3
Surface Area 451.0 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey AEVBPXDFDKBGLT-YOUFYPILSA-N
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