5(S)-HETE

Molecule structure of 5-Hydroxyeicosatetraenoic acid (CAS NO.70608-72-9):

IUPAC Name: (5S,6E,8Z,11Z,14Z)-5-Hydroxyicosa-6,8,11,14-tetraenoic acid 
Molecular Weight: 320.46628 g/mol
Molecular Formula: C₂₀H₃₂O₃ 
Density: 0.984 g/cm³ 
Boiling Point: 487.7 °C at 760 mmHg 
Flash Point: 262.8 °C
Index of Refraction: 1.513
Molar Refractivity: 97.99 cm³
Molar Volume: 325.6 cm³
Polarizability: 38.84×10^-24 cm³
Surface Tension: 38.7 dyne/cm
Enthalpy of Vaporization: 86.83 kJ/mol
Vapour Pressure: 1.48E-11 mmHg at 25 °C
XLogP3-AA: 5.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 14
Exact Mass: 320.235145
MonoIsotopic Mass: 320.235145
Topological Polar Surface Area: 57.5
Heavy Atom Count: 23
Complexity: 392
Defined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 4
Covalently-Bonded Unit Count: 1
Canonical SMILES: CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O
Isomeric SMILES: CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O
InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey: KGIJOOYOSFUGPC-JGKLHWIESA-N
Storage Temp.: −20 °C
Classification Code: Mutation data

 5-Hydroxyeicosatetraenoic acid (CAS NO.70608-72-9) is used as an intermediate in the pathway of leukotriene synthesis. It is also a modulator of tubuloglomerular feedback.

Hazard Codes:F, Xi
Risk Statements 11-36/37/38 
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 16-26-36 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: UN 1170 3/PG 2
WGK Germany: 3
RTECS: JX3873000
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

 5-Hydroxyeicosatetraenoic acid (CAS NO.70608-72-9) is also named as 5-HETE ; 5-Hydroxy-6,8,11,14-eicosatetraenoic acid ; 6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (S-(E,Z,Z,Z))- .