Back to Search
Molecule
Arachidonic Acid
CAS: 506-32-1 · C20H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 506-32-1
- Molecular Formula
- C20H32O2
- Molecular Mass
- 304.47 g/mol
Identifiers
CAS Registry Number
506-32-1
SMILES
CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)O
InChI Key
YZXBAPSDXZZRGB-DOFZRALJSA-N
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
Names and Synonyms
- Arachidonic Acid Synonym
- 5,8,11,14-Eicosatetraenoic acid, (5Z,8Z,11Z,14Z)- Synonym
- 5,8,11,14-Eicosatetraenoic acid, (all-Z)- Synonym
- (5Z,8Z,11Z,14Z)-5,8,11,14-Eicosatetraenoic acid Synonym
- Arachidonic acid Synonym
- (all-Z)-5,8,11,14-Eicosatetraenoic acid Synonym
- all-cis-5,8,11,14-Eicosatetraenoic acid Synonym
- cis-Δ5,8,11,14-Eicosatetraenoic acid Synonym
- 5-cis,8-cis,11-cis,14-cis-Eicosatetraenoic acid Synonym
- 5,8,11,14-all-cis-Eicosatetraenoic acid Synonym
- 5Z,8Z,11Z,14Z-Eicosatetraenoic acid Synonym
- A 0871 Synonym
- Immunocytophyte Synonym
- Immunocytophyt Synonym
- Vevodar Synonym
- 20:4n-6 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.47 g/mol | CAS Common Chemistry |
| 304.47400000000005 g/mol | RDKit | |
| 304.474 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9247 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arachidonic_acid | CAS Common Chemistry |
| Boiling Point | 170 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCC=CCC=CCC=CCC=CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- | CAS Common Chemistry |
| InChI Key | InChIKey=YZXBAPSDXZZRGB-DOFZRALJSA-N | CAS Common Chemistry |
| Melting Point | -49.5 °C | CAS Common Chemistry |
| Name | Arachidonic acid | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 6.216700000000006 | RDKit |
| 6.2167 | RDKit | |
| 5.74 | chempirical lib | |
| Molar Refractivity | 96.03980000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.55 | RDKit |
| Exact Mass | 304.240230264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 304.47 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H32O2.
