(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal

Base Information

• Chemical Name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
• CAS No.: 90-74-4
• Deprecated CAS: 17073-58-4,75795-34-5
• Molecular Formula: C12H22 O10
• Molecular Weight: 326.301
• Hs Code.: 29400090
• European Community (EC) Number: 202-014-4
• UNII: 0C4U3505G3
• DSSTox Substance ID: DTXSID70896972
• Nikkaji Number: J278.890J
• Wikipedia: Rutinose
• Mol file: 90-74-4.mol

Synonyms:6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose;rutinose

Chemical Property of (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal

Chemical Property:

• Vapor Pressure: 8.55E-17mmHg at 25°C
• Melting Point: 190.5°C (rough estimate)
• Refractive Index: -1 ° (C=4, H2O)
• Boiling Point: 598oC at 760 mmHg
• PKA: 12.45±0.20(Predicted)
• Flash Point: 315.5oC
• PSA: 177.14000
• Density: 1.66g/cm3
• LogP: -4.52700
• Water Solubility.: Soluble in water
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 326.12129689
• Heavy Atom Count: 22
• Complexity: 353

Purity/Quality:

98%, ^*data from raw suppliers

Rutinose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O

Technology Process of (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal

There total 2 articles about (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal 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:

→ rutinose (90-74-4)

Guidance literature:

With acetic acid;

Reference yield:

3',4'-di-O-methylquercetin-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-7-O-α-L-rhamnopyranosyl-(1→6)-β-D-galactopyranoside → rutinose (90-74-4)

Guidance literature:

With hydrogenchloride; water; for 0.166667h; Time;

DOI:10.1007/s10600-013-0632-y

Refernces