(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid

C20H32O5 — CID 6439933

IUPAC(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid
SMILESCC/C=C/C/C=C/CC(O)C(O)C(O)/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h3-4,6-8,11-12,15,17-18,20-22,25H,2,5,9-10,13-14,16H2,1H3,(H,23,24)/b4-3+,7-6+,11-8+,15-12+
InChIKeyZFEDJGVEKTWFMY-AHOXBEKVSA-N
MW352.47 g/mol
LogP3.13
Rot. Bonds14

About (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid

(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid (PubChem CID 6439933) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid
PubChem CID6439933
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid
SMILESCC/C=C/C/C=C/CC(O)C(O)C(O)/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h3-4,6-8,11-12,15,17-18,20-22,25H,2,5,9-10,13-14,16H2,1H3,(H,23,24)/b4-3+,7-6+,11-8+,15-12+
InChIKeyZFEDJGVEKTWFMY-AHOXBEKVSA-N
XLogP3.13
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(4Z,7Z,10R,11S,13Z,16Z,19Z)-10,11-dihydroxydocosa-4,7,13,16,19-pentaenoic acid
CID 129364490
(5Z,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
CID 5283144
(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid
CID 139619829
(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid
CID 171118583
(4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid
CID 88911142
(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid
CID 93233212
(5Z,8Z,11Z)-14,15-dihydroxyicosa-5,8,11-trienoic acid
CID 5283147
(17S)-16,17-dihydroxydocosa-4,7,10,12,14,19-hexaenoic acid
CID 123794420
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611

Frequently Asked Questions

What is the IUPAC name of (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid?
The IUPAC name of (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid (CID 6439933) is (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid.
What is the SMILES notation for (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid?
The canonical SMILES for (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid is CC/C=C/C/C=C/CC(O)C(O)C(O)/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid?
The InChIKey is ZFEDJGVEKTWFMY-AHOXBEKVSA-N. The full InChI is InChI=1S/C20H32O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h3-4,6-8,11-12,15,17-18,20-22,25H,2,5,9-10,13-14,16H2,1H3,(H,23,24)/b4-3+,7-6+,11-8+,15-12+.
What are the key properties of (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid?
(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid has a molecular weight of 352.47 g/mol, XLogP of 3.13, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid is sourced from PubChem (CID 6439933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).