(2S,3S,4R,5R,6R)-5-Acetamido-6-{[{[{[(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}-3-Hydroxy-4-[(E)-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methylene)Amino]Tetrahydro-2H-Pyran-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C25H34N5O22P3 |
IUPAC Name | (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3-hydroxy-4-[(e)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyleneamino]tetrahydropyran-2-carboxylic acid |
Molecular Mass | 849.479 g·mol−1 |
Heat of Formation | -4685.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.24 ± 1.08 D |
Volume | 861.18 Å 3 |
Surface Area | 681.0 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | -1.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | IGKBPIFLZAFLLV-IOECPDIJSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | P C H O N |