Basic information
- CAS
150565-99-4- Standard SMILES
O=c1cc(-c2cccc(O)c2O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c12- InChIKey
BNWXOARDTUCQKT-FFRPBPPBSA-N- Molecular formula
- C26H28O16
- Average molar mass
- 596.5 g/mol
- Monoisotopic mass
- 596.1377348
Names & identifiers
- Preferred name
- 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(2,3-dihydroxyphenyl)-5,6-dihydroxychromen-4-one
- IUPAC
- 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(2,3-dihydroxyphenyl)-5,6-dihydroxychromen-4-one
- English name
- 6-HYDROXYLUTEOLIN-7-O-beta-D-glucosyl-[1->2]-xyloside
- Molecular formula
- C26H28O16
- Molecular weight
- 596.49
Names & synonyms
4H-1-Benzopyran-4-one, 2-(2,3-dihydroxyphenyl)-5,6-dihydroxy-7-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-
Database identifiers
- CAS
150565-99-4- PubChem CID
- 131874076
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 980
Physicochemical properties
- Boiling point
- 997.543 · 997.543±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.88 · 1.880±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.892 · 5.892±0.40(predicted)
Chemistry & industry
Suppliers1 total
Apin Chemicals Limited (UK)[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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