Safynol
Basic information
- CAS
27978-14-9- Standard SMILES
C/C=C/C#CC#CC#C/C=C/[C@@H](O)CO- InChIKey
GVCJUCQUVWZELI-DXFRQSKKSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Overview
Safynol has been reported in Bidens bipinnata, Carthamus tinctorius, and other organisms with data available.
Names & identifiers
- Preferred name
- Safynol
- IUPAC
- (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
Names & synonyms
SafynolAC1O5XQ1(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diolC0845827978-14-9(2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diolRefChem:180831SCHEMBL30523851FOH 13:8;OLMFA05000697C08458; AC1O5XQ1; (2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol; (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
Database identifiers
- CAS
27978-14-9- PubChem CID
- 6442707
- Nikkaji
- J17.357F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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