Sibiricose A5

Base Information

• Chemical Name: Sibiricose A5
• CAS No.: 107912-97-0
• Molecular Formula: C₂₂H₃₀O₁₄
• Molecular Weight: 518.472
• DSSTox Substance ID: DTXSID301347739
• Nikkaji Number: J2.375.573D,J387.890B
• Wikidata: Q104888695

Synonyms:3'-feruloyl sucrose;3'-feruloylsucrose;sibiricose A5

Chemical Property of Sibiricose A5

Chemical Property:

• Boiling Point: 821.7±65.0 °C(Predicted)
• PKA: 9.73±0.31(Predicted)
• PSA: 225.06000
• Density: 1.63±0.1 g/cm3(Predicted)
• LogP: -3.41710
• XLogP3: -2
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 518.16355563
• Heavy Atom Count: 36
• Complexity: 750

Purity/Quality:

≥98% ^*data from raw suppliers

Sibiricose A5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O

Technology Process of Sibiricose A5

There total 3 articles about Sibiricose A5 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:

β-D-(1-acetyl-3-feruloyl)fructofuranosyl-α-D-glucopyranoside → β-D-(3-feruloyl)fructofuranosyl-α-D-glucopyranoside (107912-97-0)

Guidance literature:

With ammonium hydroxide; In methanol; water; for 1h; Ambient temperature;

DOI:10.1016/S0031-9422(00)82553-4

Reference yield:

3-O-feruloyl-6'-O-(4-O-β-D-glucopyranosylferuloyl)sucrose (117591-89-6) → β-D-(3-feruloyl)fructofuranosyl-α-D-glucopyranoside (107912-97-0) + 4-O-β-D-glucopyranosyl-(E)-ferulic acid methyl ester (94393-06-3)

Guidance literature:

With methanol; ammonia; In water; for 0.5h; Yield given; Ambient temperature;

DOI:10.1248/cpb.36.2430

Reference yield:

methanol (67-56-1) + 3-O-feruloyl-6'-O-(4-O-β-D-glucopyranosylferuloyl)sucrose (117591-89-6) → β-D-(3-feruloyl)fructofuranosyl-α-D-glucopyranoside (107912-97-0) + 4-O-β-D-glucopyranosyl-(E)-ferulic acid methyl ester (94393-06-3)

Guidance literature:

With ammonia; In water; for 0.5h; Yield given; Ambient temperature;

DOI:10.1248/cpb.36.2430

upstream raw materials:

methanol

3-O-feruloyl-6'-O-(4-O-β-D-glucopyranosylferuloyl)sucrose

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