beta-D-Fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside

Base Information

• Chemical Name: beta-D-Fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside
• CAS No.: 13039-39-9
• Molecular Formula: C₂₀H₃₆O₁₂
• Molecular Weight: 468.499
• UNII: 3MLT0UOH02
• Nikkaji Number: J621.997G
• Wikidata: Q27120372
• Metabolomics Workbench ID: 56345
• Mol file: 13039-39-9.mol

Synonyms:6-Octanoylsucrose;6-Capryloylsucrose;6-Octanoylsucrose, (+)-;BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-ALPHA-D-GLUCOPYRANOSIDE;UNII-3MLT0UOH02;3MLT0UOH02;6-O-octanoylsucrose;6-sucrose monooctanoate;13039-39-9;caprylic acid sucrose monoester;alpha-D-Glucopyranoside, beta-D-fructofuranosyl, 6-octanoate;[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl octanoate;SCHEMBL308177;CHEBI:39724;Q27120372;beta-D-Fructofuranosyl alpha-D-glucopyranoside 6-octanoate;.ALPHA.-D-GLUCOPYRANOSIDE, .BETA.-D-FRUCTOFURANOSYL, 6-OCTANOATE

Chemical Property of beta-D-Fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside

Chemical Property:

• PSA: 195.60000
• LogP: -2.48420
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 468.22067658
• Heavy Atom Count: 32
• Complexity: 577

Purity/Quality:

97% ^*data from raw suppliers

b-D-Fructofuranosyl a-D-glucopyranoside 6-octanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O
• Isomeric SMILES: CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O
• Uses: Monoesters of sucrose and fatty acids become furthermore of primary interest owing to their surfactant properties.

Technology Process of beta-D-Fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside

There total 11 articles about beta-D-Fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside 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: 40.0%

3-octanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione (134403-80-8) + Sucrose (57-50-1) → 1'-sucrose monooctanoate (123499-65-0) + 6'-sucrose monooctanoate (136152-82-4) + 6-O-octanoylsucrose (13039-39-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at -20 - -10 ℃; for 2h; Yields of byproduct given;

DOI:10.1016/0040-4039(91)80815-N

Reference yield: 20.0%

n-octanoic acid chloride (111-64-8) + Sucrose (57-50-1) → 6,3'-di-O-octanoylsucrose (1009379-13-8) + 6-O-octanoylsucrose (13039-39-9)

Guidance literature:

Sucrose; With di(n-butyl)tin oxide; In methanol; Heating;

n-octanoic acid chloride; With pyridine; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h; Further stages.;

DOI:10.1016/j.carres.2007.08.014

Reference yield: 20.0%

Octanoic acid (124-07-2) + Sucrose (57-50-1) → 6'-sucrose monooctanoate (136152-82-4) + 6-O-octanoylsucrose (13039-39-9) + 6-O-octanoyl-α-D-glucopyranosyl-3,4-anhydro-β-D-tagatofuranoside + 6,6'-di-O-octanoylsucrose

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In N,N-dimethyl-formamide; at 20 ℃; for 30h; Further byproducts given;

DOI:10.1016/j.tetasy.2004.04.021

upstream raw materials:

methyl octanate

Sucrose

3-octanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione

3-octanoylthiazolidine-2-thione

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 13039-39-9 6-Octanoyl Sucrose

Send

Send

Metric Ton KG G Pound L ML

Send

Send