D-Glucitol 1,6-Didocosanoate
[CAS# 54390-81-7]

Identification

• Name: D-Glucitol 1,6-Didocosanoate
• Synonyms: [(2R,3R,4R,5S)-6-Docosanoyloxy-2,3,4,5-Tetrahydroxy-Hexyl] Docosanoate; Docosanoic Acid [(2R,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-(1-Oxodocosoxy)Hexyl] Ester; Behenic Acid [(2R,3R,4R,5S)-6-Docosanoyloxy-2,3,4,5-Tetrahydroxy-Hexyl] Ester
• Molecular Formula: C₅₀H₉₈O₈
• Molecular Weight: 827.32
• CAS Registry Number: 54390-81-7
• EINECS: 259-139-2
• SMILES: [C@H](O)([C@H](O)[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCCCCC
• InChI: 1S/C50H98O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(53)57-43-45(51)49(55)50(56)46(52)44-58-48(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-52,55-56H,3-44H2,1-2H3/t45-,46+,49-,50-/m1/s1
• InChIKey: RQCGBGXFSUFQCD-FHFTZODCSA-N

Properties

• Density: 0.971g/cm³ (Cal.)
• Boiling point: 842.704°C at 760 mmHg (Cal.)
• Flash point: 222.804°C (Cal.)