Ellagic Acid 4-O-Xylopyranoside
Basic information
- CAS
139163-18-1- Standard SMILES
O=c1oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23- InChIKey
KNURQRIPZJJYQO-PJIMMEPBSA-N- Molecular formula
- C19H14O12
- Average molar mass
- 434.3 g/mol
- Monoisotopic mass
- 434.04852588
Overview
Ellagic acid pentoside is a tannin.
Names & identifiers
- Preferred name
- Ellagic Acid 4-O-Xylopyranoside
- IUPAC
- 6,7,14-trihydroxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
- English name
- ellagic acid 4-O-xylopyranoside
- Molecular formula
- C19H14O12
- Molecular weight
- 434.31
Names & synonyms
Ellagic acid 4-O-xylopyranoside139163-18-1Ellagic acid-4-O-beta-D-xylopyranosideEABXPDTXSID301609496,7,14-trihydroxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione6,7,14-trihydroxy-13-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxy-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dioneRefChem:136518DTXCID2083440ellagic acid pentosideEllagic acid 4-O-|A-D-xylopyranosideEllagic acid 4-O-beta-D-xylopyranoside
Show more names
Ellagic acid 4-O-β-D-xylopyranoside[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,8-trihydroxy-7-(β-D-xylopyranosyloxy)-
ellagic acid-pentosideorb1981891CHEMBL1939391SCHEMBL295832434'-O-xlyopyranosyl ellagic acidCHEBI:167700ellagic acid-4-O-D-xylopyranosideHY-N10741
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 745
Physicochemical properties
- Boiling point
- 899.664 · 899.664±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.008 · 2.008±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.564 · 4.564±0.20(predicted)
Chemistry & industry
Applications
UsesEllagic acid 4-O-β-D-xylopyranoside is a natural ellagitannin with antimicrobial activity. Ellagic acid 4-O-β-D-xylopyranoside is an xanthine oxidase inhibitor with an 50 of 2.1 μg/mL[1].
Additional notes
DefinitionChEBI: Ellagic acid pentoside is a tannin.
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