(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid

C20H32O5 — CID 171118583

IUPAC(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid
SMILESCC[C@@H](O)[C@H](O)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-18(22)19(23)16-15-17(21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h3,5-6,8-9,11,15-19,21-23H,2,4,7,10,12-14H2,1H3,(H,24,25)/b5-3-,8-6-,11-9-,16-15+/t17-,18-,19-/m1/s1
InChIKeyFHKYIIAOBKDGDK-AMWNYCQBSA-N
MW352.47 g/mol
LogP3.13
Rot. Bonds14

About (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid

(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid (PubChem CID 171118583) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid
PubChem CID171118583
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid
SMILESCC[C@@H](O)[C@H](O)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-18(22)19(23)16-15-17(21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h3,5-6,8-9,11,15-19,21-23H,2,4,7,10,12-14H2,1H3,(H,24,25)/b5-3-,8-6-,11-9-,16-15+/t17-,18-,19-/m1/s1
InChIKeyFHKYIIAOBKDGDK-AMWNYCQBSA-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 (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid with MolForge

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Related Compounds

(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
CID 56848782
(5Z,8Z,11Z,13E,15E,17R,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
CID 56848721
(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid
CID 93233212
(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid
CID 70698743
(5Z,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
CID 5283144
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(9Z,12E,15S,16R)-15,16-dihydroxyoctadeca-9,12-dienoic acid
CID 51659266
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
(5Z,8Z,11Z)-14,15-dihydroxyicosa-5,8,11-trienoic acid
CID 5283147
(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid
CID 6439933
(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid
CID 171042985

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid?
The IUPAC name of (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid (CID 171118583) is (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid is CC[C@@H](O)[C@H](O)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid?
The InChIKey is FHKYIIAOBKDGDK-AMWNYCQBSA-N. The full InChI is InChI=1S/C20H32O5/c1-2-18(22)19(23)16-15-17(21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h3,5-6,8-9,11,15-19,21-23H,2,4,7,10,12-14H2,1H3,(H,24,25)/b5-3-,8-6-,11-9-,16-15+/t17-,18-,19-/m1/s1.
What are the key properties of (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid?
(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-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 (5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid is sourced from PubChem (CID 171118583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).