Soyacerebroside II

Base Information

• Chemical Name: Soyacerebroside II
• CAS No.: 115074-93-6
• Molecular Formula: C₄₀H₇₅NO₉
• Molecular Weight: 714.037
• UNII: BCY9V8R8VR
• ChEMBL ID: CHEMBL4212166
• Nikkaji Number: J353.466I
• Wikidata: Q105031397
• Mol file: 115074-93-6.mol

Synonyms:soya-cerebroside II

Chemical Property of Soyacerebroside II

Chemical Property:

• Vapor Pressure: 2.41E-35mmHg at 25°C
• Melting Point: 192-194 °C
• Boiling Point: 870.1°Cat760mmHg
• PKA: 12.89±0.70(Predicted)
• Flash Point: 480°C
• PSA: 168.94000
• Density: 1.09g/cm³
• LogP: 6.52490
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 32
• Exact Mass: 713.54418297
• Heavy Atom Count: 50
• Complexity: 857

Purity/Quality:

98%min ^*data from raw suppliers

SoyacerebrosideII 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O
• Isomeric SMILES: CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C\CCCCCCCCC)O)O

Technology Process of Soyacerebroside II

There total 53 articles about Soyacerebroside II 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: 99.0%

(2S,3R,4E,8Z,2'R)-N-(2'-hydroxyhexadecanoyl)-1-O-(tetra-O-acetyl-β-D-glucopyranosyl)-4,8-sphingadienine (115074-92-5) → soya-cerebroside II (115074-93-6)

Guidance literature:

With sodium methylate; In tetrahydrofuran; methanol; for 2h; Ambient temperature;

Reference yield: 90.0%

(2S,3R,4E,8Z,2'R)-2-(2'-acetoxyhexadecanoyl)amino-3-O-acetyl-1-O-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)-4,8-octadiene-1,3-diol (262593-03-3) → soya-cerebroside II (115074-93-6)

Guidance literature:

With sodium methylate; In tetrahydrofuran; methanol; at 5 - 10 ℃; for 2h;

DOI:10.1016/S0040-4020(99)01018-2

Reference yield: 57.0%

Benzoic acid (2E,6Z)-(R)-1-[(S)-1-((R)-2-acetoxy-hexadecanoylamino)-2-((2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-ethyl]-hexadeca-2,6-dienyl ester (115538-46-0,127912-04-3,127912-06-5,127912-08-7) → soya-cerebroside II (115074-93-6)

Guidance literature:

With sodium methylate; In methanol; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89187-0

upstream raw materials:

Benzoic acid (2E,6Z)-(R)-1-[(S)-1-((R)-2-acetoxy-hexadecanoylamino)-2-((2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-ethyl]-hexadeca-2,6-dienyl ester

(2S,3R,4E,8Z,2'R)-N-(2'-hydroxyhexadecanoyl)-1-O-(tetra-O-acetyl-β-D-glucopyranosyl)-4,8-sphingadienine

(2S,3R,4E,8Z,2'R)-2-(2'-acetoxyhexadecanoyl)amino-3-O-acetyl-1-O-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)-4,8-octadiene-1,3-diol

(2S,3R,4E,8Z,2'R)-2-(2'-hydroxyhexadecanoyl)amino-4,8-octadiene-1,3-diol

Downstream raw materials:

2-aminooctadecan-1,3-diol

methyl 2-hydroxypalmitate

(4E,8E)-2-Amino-octadeca-4,8-diene-1,3-diol

(2R,3R,4S,5S,6R)-2-((4E,8E)-2-Amino-3-hydroxy-octadeca-4,8-dienyloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol