6''-O-Acetylglycitin

Base Information

• Chemical Name: 6''-O-Acetylglycitin
• CAS No.: 134859-96-4
• Molecular Formula: C24H24O11
• Molecular Weight: 488.44
• UNII: 1PDF3A7UIE
• DSSTox Substance ID: DTXSID70928782
• Nikkaji Number: J394.241D
• Wikidata: Q27252719
• Metabolomics Workbench ID: 48548
• Mol file: 134859-96-4.mol

Synonyms:6''-O-ACETYLGLYCITIN;134859-96-4;Acetylglycitin;Glycitin 6''-O-Acetate;Glycitein 6''-O-Acetylglucoside;6-O-Acetylglycitin;UNII-1PDF3A7UIE;1PDF3A7UIE;Glycitein 7-(6-O-acetyl-beta-D-glucopyranoside);Acetyl glycitin (constituent of soy isoflavones) [DSC];3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-acetyl-beta-D-glucopyranoside;[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate;7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-acetylglucoside);3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-acetyl-.beta.-D-glucopyranoside;acetyl glycitin;Acetyl-glycitin;DTXSID70928782;CHEBI:133348;HY-N4072;AKOS040760233;MS-29073;PD125572;glycitein 7-(6-O-acetyl-beta-D-glucoside);CS-0030646;glycitein 7-O-beta-D-(6''-O-acetyl)glucoside;glycitein 7-O-beta-D-(6''-O-acetyl)glucopyranoside;Q27252719;GLYCITEIN 7-(6-O-ACETYL-.BETA.-D-GLUCOPYRANOSIDE);3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetylhexopyranoside;((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yloxy)tetrahydro-2H-pyran-2-yl)methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate;3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside;4H-1-Benzopyran-4-one, 7-[(6-O-acetyl-.beta.-D-glucopyranosyl)oxy]-3-(4-hydroxyphenyl)-6-methoxy-

Chemical Property of 6''-O-Acetylglycitin

Chemical Property:

• Refractive Index: 1.639
• Boiling Point: 741.6°Cat760mmHg
• PKA: 9.62±0.30(Predicted)
• Flash Point: 254.5°C
• PSA: 165.12000
• Density: 1.49g/cm³
• LogP: 0.92370
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 488.13186158
• Heavy Atom Count: 35
• Complexity: 792

Purity/Quality:

98% ^*data from raw suppliers

Glycitin6''''-O-Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O
• Uses: A metabolite of isoflavone derivatives. A metabolite of isoflavone derivatives. A derivative of Glycitein (G635410). Inhibitor.