3-[3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxydecanoyloxy]Decanoic Acid
[CAS# 37134-61-5]

Identification

• Name: 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxydecanoyloxy]Decanoic Acid
• Synonyms: 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxydecanoyloxy]Decanoic Acid; 3-[1-Oxo-3-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]Decoxy]Decanoic Acid; 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxydecanoyloxy]Capric Acid
• Molecular Formula: C₂₆H₄₈O₉
• Molecular Weight: 504.66
• CAS Registry Number: 37134-61-5
• SMILES: [C@@H]1([C@@H]([C@H](O)[C@H]([C@@H](O1)C)O)O)OC(CC(OC(CC(=O)O)CCCCCCC)=O)CCCCCCC
• InChI: 1S/C26H48O9/c1-4-6-8-10-12-14-19(16-21(27)28)34-22(29)17-20(15-13-11-9-7-5-2)35-26-25(32)24(31)23(30)18(3)33-26/h18-20,23-26,30-32H,4-17H2,1-3H3,(H,27,28)/t18-,19?,20?,23-,24+,25+,26-/m0/s1
• InChIKey: PPMPLIBYTIWXPG-MSJADDGSSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 659.683°C at 760 mmHg (Cal.)
• Flash point: 208.972°C (Cal.)