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Molecule
ID:133626
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₃H₃₈O₂
Molecular Mass
346.54662
Exact Mass
346.28718046
Charge
0
InChI
InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
InChIKey
FVYDLXGAUHZBJE-GKFVBPDJSA-N
Canonic Smiles
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCC
Isomeric Smiles
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.6123953
LogD (pH = 7.4)
7.6123953
Log P
7.6123953
Molar Refractivity
113.9957
Polarizability
42.952183
Polar Surface Area
26.3
Rotatable Bonds
17
Lipinski's Rule of Five
false
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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IUPAC Traditional name
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IUPAC name
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CAS Number
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PubChem SID
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PubChem CID
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Product Information
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From Data Sources
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Data Source
Academic Data
PubChem
16218889
Commercial Catalog
Sigma Aldrich
A2915
Names and Identifiers
Synonyms
Arachidonic acid propyl ester
Propyl arachidonate
cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid propyl ester
IUPAC Traditional name
propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
IUPAC name
propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Registration numbers
MDL Number
MFCD00056308
CAS Number
93913-74-7
PubChem SID
24890704
162227903
PubChem CID
16218889
Properties
Safety Information
German water hazard class
3
Source
Storage Temperature
-20°C
Source
Product Information
Purity
~90%
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay