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71548-19-1

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Basic Information
CAS No.: 71548-19-1
Name: (5S,12S)-DIHYDROXY-(6E,8E,10E,14Z)-EICOSATETRAENOIC ACID
Article Data: 12
Molecular Structure:
Molecular Structure of 71548-19-1 ((5S,12S)-DIHYDROXY-(6E,8E,10E,14Z)-EICOSATETRAENOIC ACID)
Formula: C20H32O4
Molecular Weight: 336.472
Synonyms: 6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, [S-[R*,R*-(E,E,E,Z)]]-;12-epi-D6-trans-Leukotriene B4;5(S),12(S)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoic acid;6-trans-12-epi-LTB4;6-trans-12-epi-Leukotriene B4;D6-trans-12-Epileukotriene B4;D6-trans-12-epi-LTB4;
Density: 1.04 g/cm3
Boiling Point: 536.4 °C at 760 mmHg
Flash Point: 292.3 °C
Hazard Symbols: FlammableF,IrritantXi
Risk Codes: 11-36/37/38
Safety: 16-26-36
Transport Information: UN 1170
PSA: 77.76000
LogP: 4.15830
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Specification

This chemical is called 6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, (5S,6E,8E,10E,12S,14Z)-, and its systematic name is (5S,6E,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid. With the molecular formula of C20H32O4, its molecular weight is 336.47. The CAS registry number of this chemical is 71548-19-1. Additionally, it should be stored at -20 °C.

Other characteristics of the 6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, (5S,6E,8E,10E,12S,14Z)- can be summarised as followings: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 89.13; (6)ACD/BCF (pH 7.4): 1.4; (7)ACD/KOC (pH 5.5): 479.37; (8)ACD/KOC (pH 7.4): 7.56; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 99.48 cm3; (15)Molar Volume: 323.5 cm3; (16)Polarizability: 39.44×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 292.3 °C; (20)Enthalpy of Vaporization: 93.51 kJ/mol; (21)Boiling Point: 536.4 °C at 760 mmHg; (22)Vapour Pressure: 9.63E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)CCC[C@H](O)/C=C/C=C/C=C/[C@@H](O)C\C=C/CCCCC
2.InChI: InChI=1/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19+/m0/s1
3.InChIKey: VNYSSYRCGWBHLG-CTOJTRLNBI