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70981-96-3

70981-96-3 structural image
Product Name: 15(S)-HPETE
Formula: C20H32O4
Synonyms: 15(S)-HPETE
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 336.5 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 15
Exact Mass 336.23005950 g/mol
Monoisotopic Mass 336.23005950 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 408
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

15(S)-HPETE is the (S)-enantiomer of 15-HPETE. It has a role as a mouse metabolite. It is functionally related to an icosa-5,8,11,13-tetraenoic acid. It is a conjugate acid of a 15(S)-HPETE(1-). It is an enantiomer of a 15(R)-HPETE.