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Molecule
ID:132902
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₄H₃₆O₂
Molecular Mass
356.54144
Exact Mass
356.27153039
Charge
0
InChI
InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5+,9-8+,12-11+,15-14+,18-17+,21-20+
InChIKey
ITNKVODZACVXDS-YATCGRJWSA-N
Canonic Smiles
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OCC
Isomeric Smiles
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.255167
LogD (pH = 7.4)
7.255167
Log P
7.255167
Molar Refractivity
120.9069
Polarizability
44.332767
Polar Surface Area
26.3
Rotatable Bonds
16
Lipinski's Rule of Five
false
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Data Source
Commercial Catalog
Sigma Aldrich
D2661
D2410
Academic Data
PubChem
6381521
Names and Identifiers
Synonyms
cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester
IUPAC name
ethyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
IUPAC Traditional name
ethyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
Registration numbers
CAS Number
84494-72-4
PubChem SID
24893706
24893686
162227179
MDL Number
MFCD00056293
PubChem CID
6381521
Properties
Safety Information
Storage Temperature
-20°C
Source
German water hazard class
3
Source
Personal Protective Equipment
Eyeshields, Gloves
Source
Product Information
Purity
~99%
Source
≥97%
Source
Molecule Details
Sigma Aldrich
D2661
包装
Sealed ampule.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay