Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1)
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![Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/76f352a69e6948c29a96acee6e23a43f.png "Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1)")
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1)
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CAS No:
100018-95-9
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Formula:
C25H23O12.C5H14NO
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Chemical Name:
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1)
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Synonyms:
Ethanaminium,2-hydroxy-N,N,N-trimethyl-,salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1);Cyclohexanecarboxylic acid,1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-,ion(1-),(1α,3α,4α,5β)-,2-hydroxy-N,N,N-trimethylethanaminium;Choline (1α,3α,4α,5β)-1,3-bis[(3,4-dihydroxycinnamoyl)oxy]-4,5-dihydroxycyclohexanecarboxylate
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CAS No:
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1) Basic Attributes
619.61368
619.22649023
309-100-1
Computed Properties
Molecular Weight:619.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:10
Exact Mass:619.22649023
Monoisotopic Mass:619.22649023
Topological Polar Surface Area:234
Heavy Atom Count:44
Complexity:928
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (1α,3α,4α,5β)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid (1:1)
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