4',5,7-Tri-O-(beta-hydroxyethyl)rutoside

Base Information

• Chemical Name: 4',5,7-Tri-O-(beta-hydroxyethyl)rutoside
• CAS No.: 13374-50-0
• UNII: 31OEB607LF
• DSSTox Substance ID: DTXSID30185410
• Wikidata: Q27256063
• Mol file: 13374-50-0.mol

Synonyms:4',5,7-Tri-O-(beta-hydroxyethyl)rutoside;13374-50-0;4',5,7-Tri-o-hydroxyethyl rutoside;5,7,4'-Tris-O-(hydroxyethyl)rutin;UNII-31OEB607LF;31OEB607LF;Z-12000;Z-12001;EINECS 250-670-5;O-(beta-Hydroxyethyl)rutoside, (4',5,7)-tri-;5,7-bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-bis(2-hydroxyethoxy)-2-(3-hydroxy-4-(2-hydroxyethoxy)phenyl)-;DTXSID30185410;4',5,7-TRI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE;Q27256063;O-(.BETA.-HYDROXYETHYL)RUTOSIDE, (4',5,7)-TRI-;3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tris(2-hydroxyethyl) ether;4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,7-BIS(2-HYDROXYETHOXY)-2-(3-HYDROXY-4-(2-HYDROXYETHOXY)PHENYL)-

Chemical Property of 4',5,7-Tri-O-(beta-hydroxyethyl)rutoside

Chemical Property:

• XLogP3: -2.9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 15
• Exact Mass: 742.23202911
• Heavy Atom Count: 52
• Complexity: 1170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C(=CC(=C4)OCCO)OCCO)C5=CC(=C(C=C5)OCCO)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]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C3=O)C(=CC(=C4)OCCO)OCCO)C5=CC(=C(C=C5)OCCO)O)O)O)O)O)O)O