(5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxyhenicosa-6,8,10,14-tetraenedioic acid
Basic information
- CAS
83861-61-4- Standard SMILES
O=C(O)CCCCC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](O)CCCC(=O)O- InChIKey
OWRZLPFARZIZOG-KFGPHQELSA-N- Molecular formula
- C21H32O6
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.21988874
Names & identifiers
- Preferred name
- (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxyhenicosa-6,8,10,14-tetraenedioic acid
- IUPAC
- (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxyhenicosa-6,8,10,14-tetraenedioic acid
- English name
- 20-carboxy-leukotriene B4
- Molecular formula
- C21H32O6
- Molecular weight
- 380.48
Names & synonyms
83861-61-4(5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxyhenicosa-6,8,10,14-tetraenedioic acidSCHEMBL295593236,8,10,14-Heneicosatetraenedioic acid, 5,12-dihydroxy-, (S-(R*,S*-(E,Z,E,Z)))-6,8,10,14-Heneicosatetraenedioic acid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
Database identifiers
- CAS
83861-61-4- PubChem CID
- 6438992
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Boiling point
- 635.1 · 635.1±55.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 4.66 · 4.66±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…