3-[2-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4,5-dihydroxyphenyl]propanoic acid
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![3-[2-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4,5-dihydroxyphenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d8e5b0ed1bb4425e837b97cbef71adcb.png "3-[2-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4,5-dihydroxyphenyl]propanoic acid")
3-[2-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4,5-dihydroxyphenyl]propanoic acid
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CAS No:
769160-81-8
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Formula:
C21H24O12
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Chemical Name:
3-[2-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4,5-dihydroxyphenyl]propanoic acid
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Synonyms:
3-(2',4,4',5-Tetrahydroxy-6'-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-[1,1'-biphenyl]-2-yl)propanoic acid;769160-81-8
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CAS No:
3-[2-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4,5-dihydroxyphenyl]propanoic acid Basic Attributes
468.4 g/mol
468.12677620 g/mol
Computed Properties
Molecular Weight:468.4
XLogP3:-0.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:468.12677620
Monoisotopic Mass:468.12677620
Topological Polar Surface Area:218
Heavy Atom Count:33
Complexity:649
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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