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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
Names and Synonyms:
Arachidonic Acid
5,8,11,14-Eicosatetraenoic acid, (5Z,8Z,11Z,14Z)-
5,8,11,14-Eicosatetraenoic acid, (all-Z)-
(5Z,8Z,11Z,14Z)-5,8,11,14-Eicosatetraenoic acid
Arachidonic acid
(all-Z)-5,8,11,14-Eicosatetraenoic acid
all-cis-5,8,11,14-Eicosatetraenoic acid
cis-Δ5,8,11,14-Eicosatetraenoic acid
5-cis,8-cis,11-cis,14-cis-Eicosatetraenoic acid
5,8,11,14-all-cis-Eicosatetraenoic acid
5Z,8Z,11Z,14Z-Eicosatetraenoic acid
A 0871
Immunocytophyte
Immunocytophyt
Vevodar
20:4n-6
Identifiers:
SMILES:
CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)O
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-
Key Properties
Boiling Point
170 °C
CAS Common Chemistry
Melting Point
-49.5 °C
CAS Common Chemistry
Density
0.92 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.47 g/mol | CAS Common Chemistry |
| 304.47400000000005 g/mol | RDKit | |
| 304.240230264 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9247 g/cm3 @ Temp: 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 |
| Molar Refractivity | 96.03980000000006 | RDKit |
