Basic information
- CAS
82-12-2- Standard SMILES
O=C1c2cc(O)c(O)c(O)c2C(=O)c2cc(O)c(O)c(O)c21- InChIKey
NEIMTOOWBACOHT-UHFFFAOYSA-N- Molecular formula
- C14H8O8
- Average molar mass
- 304.21 g/mol
- Monoisotopic mass
- 304.02191721
Overview
Rufigallol is a hexahydroxyanthraquinone.
Names & identifiers
- Preferred name
- Rufigallol
- IUPAC
- 1,2,3,5,6,7-hexahydroxyanthracene-9,10-dione
- English name
- rufigallol
- Molecular formula
- C14H8O8
- Molecular weight
- 304.21
Names & synonyms
Rufigallol82-12-2rufigallic acid1,2,3,5,6,7-hexahydroxyanthracene-9,10-dione9,10-Anthracenedione, 1,2,3,5,6,7-hexahydroxy-1,2,3,5,6,7-Hexahydroxy-9,10-anthraquinone1,2,3,5,6,7-hexahydroxy-9,10-anthracenedioneS977046N6IDTXSID1075359CHEBI:37500C.I. 58600RefChem:180287
Show more names
AI300865AI3 00865C.I.58600
DTXCID80482381,2,3,5,6,7-hexahydroxyanthraquinoneRufigallussaureUNII-S977046N6IRUFIGALLOL [MI]AI3-00865CHEMBL58972orb1741524
Database identifiers
- CAS
82-12-2- PubChem CID
- 65737
- DTXSID
DTXSID1075359- ChEMBL
CHEMBL58972- ChEBI
CHEBI:37500- UNII
- S977046N6I
- Nikkaji
- J8.612F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 405.05 °C · 405.05°C (rough estimate)
- Density
- 1.5387 · 1.5387 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- FDA UNII
- 977046 N6I · S977046N6I
- EPA Substance Registry System
- Rufigallol (82-12-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesRufigallol is one of the earliest systems reported to form columnar mesophases. Rufigallol is also an oxidant agent. Rufigallol acts in a pro-oxidant fashion to produce oxygen radicals inside parasitized erythrocytes. Rufigallol has vitamin K activity and antimalarial activity[1].
Suppliers6 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Rufigallol is a hexahydroxyanthraquinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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