CAS 108698-02-8|顺-7,10,13,16,19-二十二碳五烯酸甲酯|methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate|全顺-7,10,13,16,19-二十二碳五烯酸甲酯十二碳五烯酸甲酯|methyl (7Z,10Z,13Z,16Z,19Z)-doc...

General Information

Structure

Molecular Formula

C₂₃H₃₆O₂

Molecular Mass

344.53074

Exact Mass

344.27153039

Charge

InChI

InChI=1S/C23H36O2/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/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-

InChIKey

PTFHIRHGARALFY-JEBPEJKESA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

7.2602806

LogD (pH = 7.4)

7.2602806

Log P

7.2602806

Molar Refractivity

115.0417

Polarizability

42.71878

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

顺-7,10,13,16,19-二十二碳五烯酸甲酯全顺-7,10,13,16,19-二十二碳五烯酸甲酯十二碳五烯酸甲酯Methyl all-cis-7,10,13,16,19-docosapentaenoatecis-7,10,13,16,19-Docosapentaenoic acid methyl ester

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD00674894

CAS Number

108698-02-8

PubChem SID

2489395824850415162228521