2-[(2S,3S,4S,5R)-2,4,5-Trihydroxy-6-Oxohexan-3-Yl]Oxypropanoic Acid
[CAS# 128534-92-9]

Identification

• Name: 2-[(2S,3S,4S,5R)-2,4,5-Trihydroxy-6-Oxohexan-3-Yl]Oxypropanoic Acid
• Synonyms: 2-[(1S,2S,3R)-2,3-Dihydroxy-1-(1-Hydroxyethyl)-4-Oxo-Butoxy]Propanoic Acid; 2-[(1S,2S,3R)-2,3-Dihydroxy-1-(1-Hydroxyethyl)-4-Oxobutoxy]Propanoic Acid; 2-[(1S,2S,3R)-2,3-Dihydroxy-1-(1-Hydroxyethyl)-4-Keto-Butoxy]Propionic Acid
• Molecular Formula: C₉H₁₆O₇
• Molecular Weight: 236.22
• CAS Registry Number: 128534-92-9
• SMILES: [C@@H](C=O)(O)[C@H](O)[C@@H](OC(C)C(=O)O)[C@@H](O)C
• InChI: 1S/C9H16O7/c1-4(11)8(7(13)6(12)3-10)16-5(2)9(14)15/h3-8,11-13H,1-2H3,(H,14,15)/t4-,5?,6-,7-,8-/m0/s1
• InChIKey: SHCQKCKKXMAWFD-MDUBGLNMSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 510.208°C at 760 mmHg (Cal.)
• Flash point: 202.495°C (Cal.)