Chicoric acid
(2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid
Also Known As: Chicoric acid|Cichoric Acid|L-Chicoric acid|dl-Chicoric acid|RefChem:1092696|AC1L22EZ|orb1297661|orb3140174|Npc138489|CTK8E2643|KS-00000FWF|(-)-Chicoric acid;trans-Caffeoyltartaric acid|(2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid|(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid|(2R,3R)-2,3-bis{[3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid|Butanedioic acid, 2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2R,3R)- (9CI); Butanedioic acid, 2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [R-(R*,R*)]-; Tartaric acid, bis(3,4-dihydroxycinnamate) (6CI,8CI); (2R,3R)-2,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid; Chicoric acid; Dicaffeoyltartaric acid
| Molecular Formula | C22H18O12 |
|---|---|
| Molecular Weight | 474.07983 g/mol |
| LogP | 1.23 |
| Topological Polar Surface Area | 208.12 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.07983 |
| Heavy Atoms | 34 |
| Complexity | 1073.0 |
Chemical Identifiers
| CAS Number | 6537-80-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O |
Product Overview
Chicoric acid (CAS 6537-80-0), with molecular formula C22H18O12 and molecular weight 474.07983 g/mol. IUPAC: (2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid.
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