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Home> Encyclopedia > Hot Product Listed 5   > 5,8,14,17-Eicosatetraenoicacid, 10,11,12-trihydroxy-
64520-05-4 structure

5,8,14,17-Eicosatetraenoicacid, 10,11,12-trihydroxy-

Iupac Name:(11E)-11-[3-(dimethylamino)propylidene]-5,6-dihydrodibenzo[2,1-b:2',
1'-f][7]annulen-5-ol
CAS No.:64520-05-4
Molecular Weight:293.40272
Molecular Formula:C25H28N6O7S3 (isomer)
Names and Identifiers
Synonyms

10,11,12-trihydroxy-5,8,14,17-eicosatetraenoic acid 10,11,12-trihydroxy-5,8,14,17-eicosatetraenoicacid 10,11,12-trihydroxy-5,8,14,17-eicostetraenoic acid 10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid 5,8,14,17-eicosatetraenoicacid, 10,11,12-trihydroxy- (9ci) ACMC-20M65X CTK0H8702 LP026141

Inchi
InChI=1/C20H23NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12+
Canonical Smiles
CN(C)CCC=C1C2=CC=CC=C2CC(C3=CC=CC=C31)O
Isomers Smiles
CN(C)CC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O
Properties
Density
1.2
Boiling Point
864.5°Cat760mmHg
Refractive Index
1.651
Flash Point
376.7°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:293.40272g/mol
  • Molecular Formula:C25H28N6O7S3
  • XLogP3-AA:3.9
  • Exact Mass:293.177964
  • Monoisotopic Mass:293.177964
  • Complexity:389
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:23.5
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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