Kaempferol 3-alpha-L-arabinopyranoside
Basic information
- CAS
99882-10-7- Standard SMILES
O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12- InChIKey
RNVUDWOQYYWXBJ-IEGSVRCHSA-N- Molecular formula
- C20H18O10
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 418.08999677
Overview
Kaempferol 3-O-arabinoside is a glycoside and a member of flavonoids.
Names & identifiers
- Preferred name
- Kaempferol 3-alpha-L-arabinopyranoside
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
- English name
- Kaempferol 3-α-L-arabinopyranoside
- Molecular formula
- C20H18O10
- Molecular weight
- 418.35
Names & synonyms
99882-10-7Kaempferol 3-alpha-L-arabinopyranosideRefChem:10879255,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,5S)-3,4,5-trihydroxyoxan-2-yl)oxychromen-4-oneKaempferol 3-O-arabinosideJuglalinKaempferol 3-O-alpha-L-arabinopyranoside5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-oneCHEMBL5184205,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-oneKaempferol 3-O-?-L-arabinosideKAEMPFEROL 3-A-L-ARABINOPYRANOSIDE
Show more names
Kaempferol 3-α-L-arabinopyranosideKaempferol 3-O-α-L-arabinosideKaempferol 3-O-alfa-L-arabisideKaempferol 3-α-arabinopyranosideKaempferol 3-α-L-arabinopyranosideKaempferol 3-O-α-L-arabinopyranosideJuglalin (Kaempferol 3-O-α-L-arabinopyranoside)4H-1-Benzopyran-4-one,3-(a-L-arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
Kaempferol 3-O-alpha-L-arabinosidekaempferol arabinosideKAEMPFEROL 3-O-A-L-ARABINOPYRANOSIDEkaempferol-3-O-L-arabinosideMEGxp0_000273orb1684488SCHEMBL1279116kaempferol-3-o-arabinopyranoside
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 672
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 777.1 · 777.1±60.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- Flash point
- 279 ℃ · 279℃
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 6.2 · 6.20±0.40(Predicted)
- color
- Yellow
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H341
- Precautionary statements
- 281 · P281-P301+P310
- Hazard Codes
- T
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-68
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 36/37-45
- Hazard statements
- H301-H341
- Precautionary statements
- P281-P301+P310
Chemistry & industry
Applications
UsesKaempferol 3-O-α-L-Arabinopyranoside is a polyphenol compound from Marsilea quadrifolia which displays antioxiant activity.
Additional notes
DefinitionChEBI: Kaempferol 3-O-arabinoside is a member of flavonoids and a glycoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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