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Home> Hot Product Listed 6   > 6,8,10,12-Eicosatetraenoicacid, 5,14,15,20-tetrahydroxy-, [5S-(5R*,6E,8Z,10E,12E,14S*,15R*)]- (9CI)
402-91-5 structure

6,8,10,12-Eicosatetraenoicacid, 5,14,15,20-tetrahydroxy-, [5S-(5R*,6E,8Z,10E,12E,14S*,15R*)]- (9CI)

Iupac Name:3-[[2-carboxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CAS No.:402-91-5
Molecular Weight:432.308
Molecular Formula:C19H26O2 (isomer)
Names and Identifiers
Synonyms

20-hydroxylipoxin B4

Inchi
InChI=1S/C10H10F6N2O6S2/c11-9(12,13)7(23)17-3(5(19)20)1-25-26-2-4(6(21)22)18-8(24)10(14,15)16/h3-4H,1-2H2,(H,17,23)(H,18,24)(H,19,20)(H,21,22)
InChkey
NJQSWKZMTZNJIP-UHFFFAOYSA-N
Canonical Smiles
C(C(C(=O)O)NC(=O)C(F)(F)F)SSCC(C(=O)O)NC(=O)C(F)(F)F
Properties
Melting Point
164-166
Boiling Point
564.4°Cat760mmHg
HS Code
2930909090
Safety and Handling
Safety Statements
Hazard Codes XiHazard Note Irritant
Computational chemical data
  • Molecular Weight:432.308g/mol
  • Molecular Formula:C19H26O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:431.988
  • Monoisotopic Mass:431.988
  • Complexity:507
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:14
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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