Basic information
- CAS
22800-25-5- Standard SMILES
CCCCCCCCCCCCCC1OC(=O)C(C)=C1C(=O)O- InChIKey
SLQVVNFTCYVCPB-UHFFFAOYSA-N- Molecular formula
- C19H32O4
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.2300595
Overview
lichesterinic acid has been reported in Cetraria australiensis, Flavocetraria cucullata, and other organisms with data available.
Names & identifiers
- Preferred name
- 4-Methyl-5-oxo-2-tridecyl-2,5-dihydrofuran-3-carboxylic acid
- IUPAC
- 4-methyl-5-oxo-2-tridecyl-2H-furan-3-carboxylic acid
Names & synonyms
4-methyl-5-oxo-2-tridecyl-2,5-dihydrofuran-3-carboxylic acidDTXSID60945483RefChem:525348DTXCID801373797958-727-2(S)-2-Tridecyl-2,5-dihydro-4-methyl-5-oxo-3-furoic acid22800-25-5493-47-0Lichesterinic acidl-Lichesteric acid(-)-Lichesterinic acidEINECS 245-227-8
Show more names
l-2,5-Dihydro-4-methyl-5-oxo-2-tridecyl-3-furoic acid3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, (S)-(2S)-2,5-Dihydro-4-methyl-5-oxo-2-tridecyl-3-furancarboxylic AcidSLQVVNFTCYVCPB-UHFFFAOYSA-N3-Furoic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, l-3-Furoic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, (S)-(-)-NSC118103EBC-618337
Database identifiers
- CAS
22800-25-5、493-47-0- PubChem CID
- 89841
- DTXSID
DTXSID60945483- EC Number
- 245-227-8、958-727-2
- Nikkaji
- J687.416I
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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