chempirical

Docosahexaenoic acid

C22H32O2CAS 6217-54-5328.50 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C22H32O2
Molar mass
328.50 g/mol
Exact mass
328.2402 Da
logP
6.55Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
14

Identifiers

CAS number
6217-54-5
SMILES
CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCCC(=O)O
InChIKey
MBMBGCFOFBJSGT-KUBAVDMBSA-N
InChI
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

43 names · show all
  • 4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-
  • 4,7,10,13,16,19-Docosahexaenoic acid, (all-Z)-
  • (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoic acid
  • All-cis-4,7,10,13,16,19-Docosahexaenoic acid
  • Cervonic acid
  • (All-Z)-4,7,10,13,16,19-Docosahexaenoic acid
  • 4-Cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid
  • (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
  • δ4,7,10,13,16,19-Docosahexaenoic acid
  • C22:6
  • Doconexent
  • DHA
  • All-Z-Docosahexaenoic acid
  • (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexenoic acid
  • Marinol D 50TG
  • Ropufa 60
  • Martek DHA HM
  • AquaGrow Advantage
  • Martek DHA powder KSF 58
  • Martek DHA powder KS 35
  • DHA 22
  • DHA 22HG
  • DHASCO-HM
  • DHASCO-S
  • Martek DHA-S
  • DHASCO-T
  • DHASCO
  • Monolife 50
  • Monolife 90
  • Algatrium
  • DHA 46A
  • Efalex
  • AlgaMac 3050
  • S.Presso
  • DHA 46
  • Maxigard
  • DHA S rosemary sun
  • Algatrium plus
  • DHAID CL-400
  • DHA-46MK
  • DHA 70
  • DHA S 17P100
  • DHASCO-B

Work with Docosahexaenoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Eicosapentaenoic acid10417-94-480 % similar trans-3-Hexenoic acid1577-18-059 % similar 4-Decenoic acid26303-90-258 % similar Gamma-linolenic acid506-26-357 % similar Arachidonic acid506-32-157 % similar 11,14-Eicosadienoic acid2091-39-656 % similar Ethyl 4,7,10,13,16,19-docosahexaenoate84494-72-453 % similar Elaidic acid112-79-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Retinyl acetate127-47-9 4,7,10,13,16,19-Docosahexaenoic acid2091-24-9 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-1 Promestriene39219-28-8

Elsewhere

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