(2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl) octadecanoate

Base Information

• Chemical Name: (2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl) octadecanoate
• CAS No.: 77607-13-7
• Molecular Formula: C₂₄H₄₆O₇
• Molecular Weight: 446.625
• NSC Number: 179467
• DSSTox Substance ID: DTXSID30306729
• Mol file: 77607-13-7.mol

Synonyms:77607-13-7;NSC179467;(2,4,5,6-tetrahydroxy-1-oxohexan-3-yl) octadecanoate;DTXSID30306729;NSC-179467

Chemical Property of (2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl) octadecanoate

Chemical Property:

• Vapor Pressure: 5.84E-18mmHg at 25°C
• Boiling Point: 619.9°Cat760mmHg
• Flash Point: 199°C
• Density: 1.07g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 23
• Exact Mass: 446.32435380
• Heavy Atom Count: 31
• Complexity: 430

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(C(C=O)O)C(C(CO)O)O

Technology Process of (2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl) octadecanoate

There total 3 articles about (2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl) octadecanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-O-Stearoyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose (3254-43-1) → D-gluco-2,4,5,6-tetrahydroxy-3-stearoyloxy-hexanal (77607-13-7)

Guidance literature:

With hydrogenchloride; diethyl ether;

DOI:10.1007/BF02539913

Reference yield:

1,2:5,6-di-O-isopropylidene-α-D-glucofuranose (582-52-5) → D-gluco-2,4,5,6-tetrahydroxy-3-stearoyloxy-hexanal (77607-13-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; chloroform

2: diethyl ether; aqueous hydrochloric acid

With pyridine; hydrogenchloride; diethyl ether; chloroform;

DOI:10.1007/BF02539913

Reference yield:

Natrium-Verbindung der O1,O2;O5,O6-Diisopropyliden-α-D-glucofuranose (64656-76-4) → D-gluco-2,4,5,6-tetrahydroxy-3-stearoyloxy-hexanal (77607-13-7)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene

2: diethyl ether; aqueous hydrochloric acid

With hydrogenchloride; diethyl ether; toluene;

DOI:10.1007/BF02539913

upstream raw materials:

3-O-Stearoyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

Natrium-Verbindung der O¹,O²;O⁵,O⁶-Diisopropyliden-α-D-glucofuranose

1,2:5,6-di-O-isopropylidene-α-D-glucofuranose