[(2R,3S,4R,5R)-5-[5-[(E)-3-[(4-Azido-2-Hydroxybenzoyl)Amino]Prop-1-Enyl]-2,4-Dioxopyrimidin-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphosphoryl] Hydrogen Phosphate
[CAS# 137731-71-6]

Identification

• Name: [(2R,3S,4R,5R)-5-[5-[(E)-3-[(4-Azido-2-Hydroxybenzoyl)Amino]Prop-1-Enyl]-2,4-Dioxopyrimidin-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[5-[(E)-3-[(4-Azido-2-Hydroxy-Benzoyl)Amino]Prop-1-Enyl]-2,4-Dioxo-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[5-[(E)-3-[[(4-Azido-2-Hydroxyphenyl)-Oxomethyl]Amino]Prop-1-Enyl]-2,4-Dioxo-1-Pyrimidinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[5-[(E)-3-[(4-Azido-2-Hydroxy-Benzoyl)Amino]Prop-1-Enyl]-2,4-Diketo-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₅H₃₂N₆O₁₉P₂
• Molecular Weight: 782.50
• CAS Registry Number: 137731-71-6
• SMILES: [N+](=NC4=CC=C(C(=O)NC/C=C/C3=CN([C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)(=O)O)(=O)O)C(=O)NC3=O)C(=C4)O)=[N-]
• InChI: 1S/C25H32N6O19P2/c26-30-29-11-3-4-12(13(33)6-11)22(40)27-5-1-2-10-7-31(25(41)28-21(10)39)23-19(37)17(35)15(47-23)9-46-51(42,43)50-52(44,45)49-24-20(38)18(36)16(34)14(8-32)48-24/h1-4,6-7,14-20,23-24,32-38H,5,8-9H2,(H,27,40)(H,42,43)(H,44,45)(H,28,39,41)/b2-1+/t14-,15-,16-,17-,18+,19-,20-,23-,24-/m1/s1
• InChIKey: LFFGUSMMCHZQPH-KBIXSYPFSA-N