[[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]-[(3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Methyl] Phosphono Hydrogen Phosphate
[CAS# 30174-43-7]

Identification

• Name: [[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]-[(3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Methyl] Phosphono Hydrogen Phosphate
• Synonyms: [[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-[(3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Methyl] Phosphono Hydrogen Phosphate; [[(2S,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-[(3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Methyl] Phosphono Hydrogen Phosphate; [[(2S,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-[(3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Methyl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₄N₂O₁₆P₂
• Molecular Weight: 550.31
• CAS Registry Number: 30174-43-7
• SMILES: [C@@H]2(O[C@@H](N1C(=O)NC(=O)C=C1)[C@H](O)[C@@H]2O)C(O[P](O[P](=O)(O)O)(=O)O)C3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C
• InChI: 1S/C15H24N2O16P2/c1-4-6(19)7(20)8(21)11(30-4)13(32-35(28,29)33-34(25,26)27)12-9(22)10(23)14(31-12)17-3-2-5(18)16-15(17)24/h2-4,6-14,19-23H,1H3,(H,28,29)(H,16,18,24)(H2,25,26,27)/t4-,6-,7+,8+,9-,10+,11?,12-,13?,14+/m0/s1
• InChIKey: RHHMXIRAWBXWTB-WBTIKTRISA-N

Properties

• Density: 1.959g/cm³ (Cal.)