[(2R,3S,4R,5S)-5-(4-Aminophenoxy)-4-Hydroxy-2-[[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentoxy]Methyl]Oxolan-3-Yl] Dihydrogen Phosphate
[CAS# 104826-49-5]

Identification

• Name: [(2R,3S,4R,5S)-5-(4-Aminophenoxy)-4-Hydroxy-2-[[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentoxy]Methyl]Oxolan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5S)-5-(4-Aminophenoxy)-4-Hydroxy-2-[[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentoxy]Methyl]Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,4R,5S)-5-(4-Aminophenoxy)-4-Hydroxy-2-[[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentoxy]Methyl]-3-Tetrahydrofuranyl] Dihydrogen Phosphate; 4-Aminophenylribofuranoside 3-(Ribit-5-Yl Phosphate)
• Molecular Formula: C₁₆H₂₆NO₁₂P
• Molecular Weight: 455.35
• CAS Registry Number: 104826-49-5
• SMILES: [C@@H](COC[C@@H]2[C@H]([C@H]([C@H](OC1=CC=C(C=C1)N)O2)O)O[P](=O)(O)O)(O)[C@H](O)[C@H](O)CO
• InChI: 1S/C16H26NO12P/c17-8-1-3-9(4-2-8)27-16-14(22)15(29-30(23,24)25)12(28-16)7-26-6-11(20)13(21)10(19)5-18/h1-4,10-16,18-22H,5-7,17H2,(H2,23,24,25)/t10-,11+,12-,13-,14-,15-,16-/m1/s1
• InChIKey: LTSGNSLJCPXLOX-PLEMRLBDSA-N

Properties

• Density: 1.66g/cm³ (Cal.)
• Boiling point: 843.681°C at 760 mmHg (Cal.)
• Flash point: 464.041°C (Cal.)