2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl]Oxy}Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C21H35N3O19P2++ |
IUPAC Name | (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-(2,4-dioxo-1h-pyrimidine-1,3-diium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxybutanoic acid |
Molecular Mass | 695.459 g·mol−1 |
Heat of Formation | -4081.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.16 ± 1.08 D |
Volume | 714.85 Å 3 |
Surface Area | 570.52 Å 2 |
HOMO Energy | -9.43 ± 0.55 eV |
LUMO Energy | -1.69 ± eV |
Point Group Symmetry | C1 |
InChIKey | DFCARJAECCPPGB-LHYXAPFASA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | P C H O N |