7-[(2R)-3-[[(2S)-2-Amino-3-Hydroxy-3-Oxopropoxy]-Hydroxyphosphoryl]Oxy-2-Hydroxypropoxy]Heptanoic Acid
[CAS# 139239-73-9]

Identification

• Name: 7-[(2R)-3-[[(2S)-2-Amino-3-Hydroxy-3-Oxopropoxy]-Hydroxyphosphoryl]Oxy-2-Hydroxypropoxy]Heptanoic Acid
• Synonyms: 7-[(2R)-3-[[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propoxy]-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-Propoxy]Heptanoic Acid; (2S)-2-Amino-3-[Hydroxy-[(2R)-2-Hydroxy-3-(7-Hydroxy-7-Keto-Heptoxy)Propoxy]Phosphoryl]Oxy-Propionic Acid; 1-Chgps
• Molecular Formula: C₁₃H₂₆NO₁₀P
• Molecular Weight: 387.32
• CAS Registry Number: 139239-73-9
• SMILES: [C@@H](C(=O)O)(CO[P](OC[C@@H](COCCCCCCC(=O)O)O)(O)=O)N
• InChI: 1S/C13H26NO10P/c14-11(13(18)19)9-24-25(20,21)23-8-10(15)7-22-6-4-2-1-3-5-12(16)17/h10-11,15H,1-9,14H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11+/m1/s1
• InChIKey: PEMMFAKQMQICNV-MNOVXSKESA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 655.49°C at 760 mmHg (Cal.)
• Flash point: 350.228°C (Cal.)