Basic information
- CAS
128988-57-8- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
CGTJNKQXMHSGFN-UJPFCWTGSA-N- Molecular formula
- C33H40O21
- Average molar mass
- 772.7 g/mol
- Monoisotopic mass
- 772.20620828
Names & identifiers
- Preferred name
- Triphenylsilyl dimethylarsinoate
- IUPAC
- 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- quercetin 3-O-alpha-rhamnopyranosyl(1-2)-beta-galactopyranoside-7-O-beta-glucopyranoside
- Molecular formula
- C33H40O21
- Molecular weight
- 772.66
Names & synonyms
Triphenylsilyl dimethylarsinoate128988-57-8q-Rha-gal-gluQuercetin 3-rhamnosyl-(1->2)-galactoside-7-glucosideQuercetin 3-O-alpha-rhamnopyranosyl(1-2)-beta-galactopyranoside-7-O-beta-glucopyranosideDTXSID20156018LMPK12112061Arsinous acid, dimethyl-, triphenylsilyl ester2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside
Database identifiers
- CAS
128988-57-8- PubChem CID
- 5487350
- DTXSID
DTXSID20156018
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 345 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 9
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,320
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 1148.504 · 1148.504±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.85 · 1.850±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.775 · 5.775±0.40(predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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