1-(Furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
Basic information
- CAS
55626-95-4- Standard SMILES
CC(C)CC(=O)CC(C)(O)CCC(=O)c1ccoc1- InChIKey
SUMMQMXACBFGLA-UHFFFAOYSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Overview
(R)-Athanagrandione is an aromatic ketone.
Names & identifiers
- Preferred name
- 1-(Furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
- IUPAC
- 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
- English name
- 4-Hydroxymyoporone
- Molecular formula
- C15H22O4
- Molecular weight
- 266.33
Names & synonyms
1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione55626-95-4DTXSID50970966RefChem:1054690DTXCID301398487(R)-Athanagrandione4-Hydroxymyoporone4,8-Dimethyl-1-(3-furyl)-4-hydroxy-1,6-nonanedione(-)-Athanagrandione1,6-NONANEDIONE, 4,8-DIMETHYL-1-(3-FURYL)-4-HYDROXY-CHEBI:174495NSC347115
Show more names
1-(Furan-3-yl)-4-hydroxy-4,8-dimethyl-1,6-nonanedione1,6-Nonanedione, 1-(3-furanyl)-4-hydroxy-4,8-dimethyl-, (4R)-
NSC-3471151-(uran-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
Database identifiers
- CAS
55626-95-4、69926-93-8- PubChem CID
- 41493
- DTXSID
DTXSID50970966- ChEBI
CHEBI:174495- Nikkaji
- J59.353B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 424.548 · 424.548±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.1 · 14.100±0.29(predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: (R)-Athanagrandione is an aromatic ketone.
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Compound notes
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