6-[(2S)-3-[[(2R,3S)-3-Amino-4-Hydroxy-4-Oxobutan-2-Yl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxypropoxy]Hexanoic Acid
[CAS# 158059-97-3]

Identification

• Name: 6-[(2S)-3-[[(2R,3S)-3-Amino-4-Hydroxy-4-Oxobutan-2-Yl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxypropoxy]Hexanoic Acid
• Synonyms: 6-[(2S)-3-[[(1R,2S)-2-Amino-3-Hydroxy-1-Methyl-3-Oxopropoxy]-Hydroxyphosphoryl]Oxy-2-Hydroxypropoxy]Hexanoic Acid; 6-[(2S)-3-[[(1R,2S)-2-Amino-3-Hydroxy-3-Keto-1-Methyl-Propoxy]-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-Propoxy]Hexanoic Acid; 6-[(2S)-3-[[(1R,2S)-2-Amino-3-Hydroxy-1-Methyl-3-Oxo-Propoxy]-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-Propoxy]Hexanoic Acid
• Molecular Formula: C₁₃H₂₆NO₁₀P
• Molecular Weight: 387.32
• CAS Registry Number: 158059-97-3
• SMILES: [C@@H](COCCCCCC(=O)O)(O)CO[P](O[C@@H]([C@@H](C(O)=O)N)C)(O)=O
• InChI: 1S/C13H26NO10P/c1-9(12(14)13(18)19)24-25(20,21)23-8-10(15)7-22-6-4-2-3-5-11(16)17/h9-10,12,15H,2-8,14H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,12+/m1/s1
• InChIKey: CYVCRELICGRMTP-SCVCMEIPSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 648.964°C at 760 mmHg (Cal.)
• Flash point: 346.281°C (Cal.)