4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
Basic information
- Standard SMILES
CC(C=CC=C(C)C=CC(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O- InChIKey
ZVKOASAVGLETCT-UHFFFAOYSA-N- Molecular formula
- C24H28O4
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.19875937
Overview
4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid has been reported in Bixa orellana with data available.
Names & identifiers
- Preferred name
- 4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
- IUPAC
- 4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
Names & synonyms
NorbixenE160 (Norbixin)4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid6,6'-Diapo-6,6'-carotenedioic acidRefChem:967904,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioateDiapocarotene-6,6'-dioic acidSCHEMBL23576251DTXSID80859472(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethyl-2,4,6,8,1 0,12,14,16,18-icosanonaenedioic acid
Database identifiers
- PubChem CID
- 92801
- DTXSID
DTXSID80859472
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 740
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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