| Identification | Back Directory | [Name]
THEOGALLIN | [CAS]
17365-11-6 | [Synonyms]
THEOGALLIN
5-Galloylquinic acid
3-Galloylquinic acid
3,4,5-Trihydroxybenzoic acid (1R)-5β-carboxy-2α,3α,5α-trihydroxycyclohexyl ester
(3R,5R)-1α,4α,5α-Trihydroxy-3β-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester | [Molecular Formula]
C14H16O10 | [MDL Number]
MFCD31693144 | [MOL File]
17365-11-6.mol | [Molecular Weight]
344.27 |
| Chemical Properties | Back Directory | [Boiling point ]
754.4±60.0 °C(Predicted) | [density ]
1.85±0.1 g/cm3(Predicted) | [form ]
powder | [pka]
3.87±0.50(Predicted) | [color ]
White-beige | [Water Solubility ]
Soluble in water |
| Hazard Information | Back Directory | [Definition]
ChEBI: Theogallin is a gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). It is a gallate ester, a monocarboxylic acid and a tertiary alcohol. It is functionally related to a gallic acid and a (-)-quinic acid. |
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