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89663-86-5

89663-86-5 structural image
Product Name: LIPOXIN A4
Formula: C20H32O5
Synonyms: (5S,6R,15S)-Trihydroxy-(7E,9E,11Z,13E)-Eicosatetraenoic acid;Lipoxin A₄ - CAS 89663-86-5 - Calbiochem;LXA₄, 5(S),6(R),15(S)-Trihydroxyeicosa-7- trans-9- trans-11- cis-13- trans-tetraenoic Acid;LXA₄, 5(S),6(R),15(S)-Trihydroxyeicosa-7-trans-9-trans-11-cis-13-trans-tetraenoic Acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 197.89 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS02
Flame
Flammables
GHS02
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 352.5 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 14
Exact Mass 352.22497412 g/mol
Monoisotopic Mass 352.22497412 g/mol
Topological Polar Surface Area 98 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 451
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Lipoxin A4 is a C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. It has a role as a metabolite and a human metabolite. It is a lipoxin, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a lipoxin A4(1-).