(4R,5R,6S,7R)-7-(2-Aminoethoxy-Hydroxyphosphoryl)Oxy-4,5,6,8-Tetrahydroxy-2-Oxooctanoic Acid
[CAS# 129476-66-0]

Identification

• Name: (4R,5R,6S,7R)-7-(2-Aminoethoxy-Hydroxyphosphoryl)Oxy-4,5,6,8-Tetrahydroxy-2-Oxooctanoic Acid
• Synonyms: (4R,5R,6S,7R)-7-(2-Aminoethoxy-Hydroxy-Phosphoryl)Oxy-4,5,6,8-Tetrahydroxy-2-Oxo-Octanoic Acid; (4R,5R,6S,7R)-7-(2-Aminoethoxy-Hydroxy-Phosphoryl)Oxy-4,5,6,8-Tetrahydroxy-2-Keto-Caprylic Acid; 3-Deoxy-2-Octulopyranosonate 7-(2-Aminoethyl Phosphate)
• Molecular Formula: C₁₀H₂₀NO₁₁P
• Molecular Weight: 361.24
• CAS Registry Number: 129476-66-0
• SMILES: [C@H](O)([C@@H](O)[C@H](O)[C@@H](CO)O[P](=O)(O)OCCN)CC(C(=O)O)=O
• InChI: 1S/C10H20NO11P/c11-1-2-21-23(19,20)22-7(4-12)9(16)8(15)5(13)3-6(14)10(17)18/h5,7-9,12-13,15-16H,1-4,11H2,(H,17,18)(H,19,20)/t5-,7-,8-,9-/m1/s1
• InChIKey: GOOOTSNZZOCKOC-ZOQUXTDFSA-N

Properties

• Density: 1.681g/cm³ (Cal.)
• Boiling point: 701.056°C at 760 mmHg (Cal.)
• Flash point: 377.785°C (Cal.)