3-Hydroxyretinal
Basic information
- CAS
6890-91-1- Standard SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC(O)C1- InChIKey
QPRQNCDEPWLQRO-DAWLFQHYSA-N- Molecular formula
- C20H28O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.20893013
Overview
All-trans-3-Hydroxyretinal is a retinoid.
Names & identifiers
- Preferred name
- 3-Hydroxyretinal
- IUPAC
- (2E,4E,6E,8E)-9-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
- English name
- all-trans-3-Hydroxyretinal
- Molecular formula
- C20H28O2
- Molecular weight
- 300.44
Names & synonyms
3-Hydroxyretinalall-trans-3-Hydroxyretinal6890-91-1Retinal, 3-hydroxy-B0490Y49DC(2E,4E,6E,8E)-9-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenalRefChem:944023-hydroxy-all-trans-retinalrac-all-trans 3-Hydroxy Retinal (80%)rac-all-trans 3-HydroxyretinalSCHEMBL457971CHEBI:81575
Show more names
3-Hydroxyretina
rac-all-trans 3-Hydroxy Retinal3-HYDROXYRETINAL, (+/-)-Q27155471
Database identifiers
- CAS
6890-91-1- PubChem CID
- 5843397
- ChEBI
CHEBI:81575- UNII
- B0490Y49DC
- Nikkaji
- J593.403F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 462.3 · 462.3±28.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
- form
- Solid
- pka
- 14.9 · 14.90±0.70(Predicted)
- color
- Yellow to Dark Orange
- Stability
- Light Sensitive
- FDA UNII
- 490 Y49DC · B0490Y49DC
Chemistry & industry
Applications
UsesThis item is provided at a purity of approximately 80%.
Additional notes
DefinitionChEBI: All-trans-3-Hydroxyretinal is a retinoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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