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6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, (5S,6E,8E,10E,12S,14Z)-

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6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, (5S,6E,8E,10E,12S,14Z)-

EINECS N/A
CAS No. 71548-19-1 Density 1.04 g/cm3
PSA 77.76000 LogP 4.15830
Solubility N/A Melting Point N/A
Formula C20H32O4 Boiling Point 536.4 °C at 760 mmHg
Molecular Weight 336.472 Flash Point 292.3 °C
Transport Information UN 1170 Appearance N/A
Safety 16-26-36 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 71548-19-1 ((5S,12S)-DIHYDROXY-(6E,8E,10E,14Z)-EICOSATETRAENOIC ACID) Hazard Symbols FlammableF,IrritantXi
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;

Article Data 12

6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, (5S,6E,8E,10E,12S,14Z)- 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

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