(2R)-2-[(2S,3S,4R,5R,6R)-2-[[[(2R,3R,4S,5S)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-3-[(2-Hydroxyacetyl)Amino]-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoic Acid

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Formula C20H31N3O20P2
IUPAC Name (2r)-2-[(2s,3s,4r,5r,6r)-2-[[[(2r,3r,4s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-3-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid
Molecular Mass 695.416 g·mol−1
Heat of Formation -4174.5 ± 16.7 kJ·mol−1
Dipole Moment 8.59 ± 1.08 D
Volume 702.05 Å 3
Surface Area 576.96 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey NZYFYXRHIWOMRL-HJUGKFDQSA-N
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