Caffeic Acid 4-β-D-Glucuronide
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Caffeic Acid 4-β-D-Glucuronide
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CAS No:
1093679-71-0
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Formula:
C15H18O9
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Chemical Name:
Caffeic Acid 4-β-D-Glucuronide
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Synonyms:
Caffeic acid 4-O-glucuronide;(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;Caffeic Acid 4-|A-D-Glucuronide;DTXSID10648957;CHEBI:165242;ZINC77285163;4-[(E)-2-Carboxyethenyl]-2-hydroxyphenyl beta-D-glucopyranosiduronic acid;(2S,3S,4S,5R,6S)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
Characteristics
174
-0.4
1.744±0.06 g/cm3(Predicted)
>213°C (dec.)
749.1±60.0 °C(Predicted)
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
Computed Properties
Molecular Weight:356.28
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:356.07434670
Monoisotopic Mass:356.07434670
Topological Polar Surface Area:174
Heavy Atom Count:25
Complexity:520
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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