CAS 2566-90-7|methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate|cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester|methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate|...

General Information

Structure

Molecular Formula

C₂₃H₃₄O₂

Molecular Mass

342.51486

Exact Mass

342.25588033

Charge

InChI

InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-

InChIKey

VCDLWFYODNTQOT-JDPCYWKWSA-N

Canonic Smiles

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC

Isomeric Smiles

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.898359

LogD (pH = 7.4)

6.898359

Log P

6.898359

Molar Refractivity

116.1583

Polarizability

42.485928

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Synonyms

顺式-4,7,10,13,16,19-二十二碳六烯酸甲酯cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester4,7,10,13,16,19-二十二碳六烯酸甲酯Methyl all-cis-4,7,10,13,16,19-docosahexenoateall-cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester全顺-4,7,10,13,16,19-二十二碳六烯酸甲酯DHA 甲酯Methyl DHAFame 22:6n-3顺-4,7,10,13,16,19-二十二碳六烯酸甲酯

IUPAC Traditional name

methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Names and Identifiers

Registration numbers

PubChem SID

MDL Number

CAS Number

PubChem CID