(2R,3R,4S,5R)-2-(3-Carbamoylpyridin-1-Ium-1-Yl)-5-[[(2R,3S,4R)-3,4-Dihydroxy-1-(Hydroxy-Phosphonooxyphosphoryl)Oxy-5-Oxopentan-2-Yl]Oxymethyl]-4-Hydroxyoxolan-3-Olate
[CAS# 30419-23-9]

Identification

• Name: (2R,3R,4S,5R)-2-(3-Carbamoylpyridin-1-Ium-1-Yl)-5-[[(2R,3S,4R)-3,4-Dihydroxy-1-(Hydroxy-Phosphonooxyphosphoryl)Oxy-5-Oxopentan-2-Yl]Oxymethyl]-4-Hydroxyoxolan-3-Olate
• Synonyms: (2R,3R,4S,5R)-2-(3-Carbamoylpyridin-1-Ium-1-Yl)-5-[[(1R,2S,3R)-2,3-Dihydroxy-1-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]-4-Oxo-Butoxy]Methyl]-4-Hydroxy-Tetrahydrofuran-3-Olate; (2R,3R,4S,5R)-2-(3-Carbamoyl-1-Pyridin-1-Iumyl)-5-[[(1R,2S,3R)-2,3-Dihydroxy-1-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-4-Oxobutoxy]Methyl]-4-Hydroxy-3-Tetrahydrofuranolate; (2R,3R,4S,5R)-2-(3-Carbamoylpyridin-1-Ium-1-Yl)-5-[[(1R,2S,3R)-2,3-Dihydroxy-1-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]-4-Keto-Butoxy]Methyl]-4-Hydroxy-Tetrahydrofuran-3-Olate
• Molecular Formula: C₁₆H₂₄N₂O₁₅P₂
• Molecular Weight: 546.32
• CAS Registry Number: 30419-23-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1[O-])CO[C@@H]([C@@H](O)[C@@H](O)C=O)CO[P](O[P](=O)(O)O)(=O)O)[N+]2=CC(=CC=C2)C(=O)N
• InChI: 1S/C16H24N2O15P2/c17-15(24)8-2-1-3-18(4-8)16-14(23)13(22)11(32-16)6-30-10(12(21)9(20)5-19)7-31-35(28,29)33-34(25,26)27/h1-5,9-14,16,20-22H,6-7H2,(H2,17,24)(H,28,29)(H2,25,26,27)/t9-,10+,11+,12-,13+,14+,16+/m0/s1
• InChIKey: NCVOOBHSYZVJAI-HQKBCVNISA-N