6′′-O-Malonylglycitin
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6′′-O-Malonylglycitin
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CAS No:
137705-39-6
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Formula:
C25H24O13
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Chemical Name:
6′′-O-Malonylglycitin
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Synonyms:
4H-1-Benzopyran-4-one,7-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-methoxy-;Propanedioic acid,6′-ester with 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one,7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-methoxy-;7-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one;6′′-O-Malonylglycitin;Glycitein 6′′-O-malonylglucoside;Glycitin 6′′-O-malonate;Malonylglycitin
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CAS No:
Description
Solid
Malonylglycitin is a glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6''. It has a role as a plant metabolite. It is a glycosyloxyisoflavone, a hydroxyisoflavone, a malonate ester, a monosaccharide derivative and a methoxyisoflavone. It derives from a glycitin.
Characteristics
202.42000
0.37850
1.571g/cm3
162°C
863.2ºC at 760 mmHg
293.4ºC
1.653
1133 mg/L @ 25 °C (est)
Store at -20ºC
8.82E-32mmHg at 25°C
Computed Properties
Molecular Weight:532.4
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:532.12169082
Monoisotopic Mass:532.12169082
Topological Polar Surface Area:199
Heavy Atom Count:38
Complexity:898
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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