(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid

C20H32O3 — CID 87630755

IUPAC(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid
SMILESCCCCC/C=C/CC/C=C/C=C/C/C=C/CC[C@H](O)C(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,10-13,15-16,19,21H,2-5,8-9,14,17-18H2,1H3,(H,22,23)/b7-6+,11-10+,13-12+,16-15+/t19-/m0/s1
InChIKeyRLQZDDMZHMIBGR-IGYRAFNJSA-N
MW320.47 g/mol
LogP5.19
Rot. Bonds14

About (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid

(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid (PubChem CID 87630755) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid.

Molecular Properties

Compound Name(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid
PubChem CID87630755
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid
SMILESCCCCC/C=C/CC/C=C/C=C/C/C=C/CC[C@H](O)C(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,10-13,15-16,19,21H,2-5,8-9,14,17-18H2,1H3,(H,22,23)/b7-6+,11-10+,13-12+,16-15+/t19-/m0/s1
InChIKeyRLQZDDMZHMIBGR-IGYRAFNJSA-N
XLogP5.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxydocos-5-enoic acid
CID 139910462
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
docosa-4,8,10,13,16-pentaenoic acid
CID 91036975
(6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid
CID 122529712
2-aminoicosa-5,8,11,14-tetraenoic acid
CID 91406143
octadeca-6,9,11-trienoic acid
CID 85068576
(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
CID 100915198

Frequently Asked Questions

What is the IUPAC name of (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid?
The IUPAC name of (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid (CID 87630755) is (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid.
What is the SMILES notation for (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid?
The canonical SMILES for (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid is CCCCC/C=C/CC/C=C/C=C/C/C=C/CC[C@H](O)C(=O)O.
What is the InChIKey of (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid?
The InChIKey is RLQZDDMZHMIBGR-IGYRAFNJSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,10-13,15-16,19,21H,2-5,8-9,14,17-18H2,1H3,(H,22,23)/b7-6+,11-10+,13-12+,16-15+/t19-/m0/s1.
What are the key properties of (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid?
(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid has a molecular weight of 320.47 g/mol, XLogP of 5.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid is sourced from PubChem (CID 87630755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).