(2S,3R,4R,5R,6S)-2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrochromen-7-yl]oxy]-6-methyloxane-3,4,5-triol

Base Information

• Chemical Name: (2S,3R,4R,5R,6S)-2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrochromen-7-yl]oxy]-6-methyloxane-3,4,5-triol
• CAS No.: 2392-95-2
• Molecular Formula: C₂₇H₃₀O₁₅
• Molecular Weight: 594.526
• DSSTox Substance ID: DTXSID901024339
• Wikidata: Q110184298
• Mol file: 2392-95-2.mol

Synonyms:Kaempferol-3-gluco-7-rhamnoside;(2S,3R,4R,5R,6S)-2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrochromen-7-yl]oxy]-6-methyloxane-3,4,5-triol;Kaempferol-3-glucoside-7-rhamnoside;4H-1-Benzopyran-3-one, 7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-;7-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-3-one;C27H30O15;DTXSID901024339;958794-54-2;beta-D-Glucopyranoside, 7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl

Chemical Property of (2S,3R,4R,5R,6S)-2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrochromen-7-yl]oxy]-6-methyloxane-3,4,5-triol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 245-247 °C
• Boiling Point: 929.4°Cat760mmHg
• PKA: 5.81±0.40(Predicted)
• Flash Point: 515.9°C
• PSA: 249.20000
• Density: 1.73g/cm³
• LogP: -1.74380
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 598.18977037
• Heavy Atom Count: 42
• Complexity: 890

Purity/Quality:

99% ^*data from raw suppliers

Kaempferol-3-glucoside-7-rhamnoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=CC(=C3CC(C(OC3=C2)C4=CC=C(C=C4)O)(O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3CC(C(OC3=C2)C4=CC=C(C=C4)O)(O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O

Technology Process of (2S,3R,4R,5R,6S)-2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrochromen-7-yl]oxy]-6-methyloxane-3,4,5-triol

There total 2 articles about (2S,3R,4R,5R,6S)-2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrochromen-7-yl]oxy]-6-methyloxane-3,4,5-triol 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:

kaempferol 3-O-β-D-(2-O-acetyl)glucopyranosyl-7-O-α-L-rhamnopyranoside → kaempferol 3-O-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside (2392-95-2,66767-76-8,115404-54-1)

Guidance literature:

With water; potassium hydroxide; In 1,4-dioxane; at 37 ℃; for 1h;

DOI:10.1080/10286020.2013.800973

Reference yield:

kaempherol 3-O-[α-L-rhamnopyranosyl-(1->6)]-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside (57526-56-4) → L-rhamnose (73-34-7) + kaempferol 3-O-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside (2392-95-2,66767-76-8,115404-54-1)

Guidance literature:

With hydrogenchloride; water; at 50 - 60 ℃; for 0.25h;

DOI:10.1134/S1068162014070048

Reference yield:

kaempferol 3-O-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside (2392-95-2,66767-76-8,115404-54-1) → β-D-glucose (492-61-5) + kaempferol-7-O-α-L-rhamnoside (5041-97-4,20196-89-8)

Guidance literature:

With McIlvaine buffer; flavonol-3-O-β-heterodisaccharide glycosidase; at 30 ℃; for 0.25h; pH=5.0; Enzyme kinetics;

DOI:10.1016/S0031-9422(03)00418-7

upstream raw materials:

kaempherol 3-O-[α-L-rhamnopyranosyl-(1->6)]-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside

Downstream raw materials:

β-D-glucose

kaempferol-7-O-α-L-rhamnoside

L-Rhamnose

D-glucose