3-[(2R,3S,4S,6R)-4,6-Dihydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Oxan-3-Yl]Propanoic Acid
[CAS# 76123-48-3]

Identification

• Name: 3-[(2R,3S,4S,6R)-4,6-Dihydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Oxan-3-Yl]Propanoic Acid
• Synonyms: 3-[(2R,3S,4S,6R)-4,6-Dihydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Tetrahydropyran-3-Yl]Propanoic Acid; 3-[(2R,3S,4S,6R)-4,6-Dihydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]-3-Tetrahydropyranyl]Propanoic Acid; 3-[(2R,3S,4S,6R)-4,6-Dihydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Tetrahydropyran-3-Yl]Propionic Acid
• Molecular Formula: C₁₆H₂₈O₆
• Molecular Weight: 316.39
• CAS Registry Number: 76123-48-3
• SMILES: [C@H]1([C@H](O[C@@H](O)C[C@@H]1O)\C=C\C(O)CCCCC)CCC(=O)O
• InChI: 1S/C16H28O6/c1-2-3-4-5-11(17)6-8-14-12(7-9-15(19)20)13(18)10-16(21)22-14/h6,8,11-14,16-18,21H,2-5,7,9-10H2,1H3,(H,19,20)/b8-6+/t11?,12-,13-,14+,16+/m0/s1
• InChIKey: AXWSHCHWXXNNKN-FFKWTLOPSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 543.223°C at 760 mmHg (Cal.)
• Flash point: 195.32°C (Cal.)