(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid

C20H30O4 — CID 56848782

IUPAC(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
SMILESCC[C@@H](O)[C@@H](O)/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,12-10+,16-14+/t18-,19+/m1/s1
InChIKeyWYCMUVNNXSREQB-ITBXQDPFSA-N
MW334.46 g/mol
LogP3.93
Rot. Bonds13

About (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid

(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid (PubChem CID 56848782) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
PubChem CID56848782
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
SMILESCC[C@@H](O)[C@@H](O)/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,12-10+,16-14+/t18-,19+/m1/s1
InChIKeyWYCMUVNNXSREQB-ITBXQDPFSA-N
XLogP3.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid with MolForge

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Related Compounds

(5Z,8Z,11Z,13E,15E,17R,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
CID 56848721
(5S,6R,7Z,9E,11E,14E)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid
CID 125183443
(5S,6R)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid
CID 3246879
(7E,9Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid
CID 118355139
(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid
CID 171118583
(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
(17S)-16,17-dihydroxydocosa-4,7,10,12,14,19-hexaenoic acid
CID 123794420
(13R,14S)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
CID 171317835
(4E,7E,9E,11E,16E,19E)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
CID 46872053
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid?
The IUPAC name of (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid (CID 56848782) is (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid?
The canonical SMILES for (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid is CC[C@@H](O)[C@@H](O)/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid?
The InChIKey is WYCMUVNNXSREQB-ITBXQDPFSA-N. The full InChI is InChI=1S/C20H30O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,12-10+,16-14+/t18-,19+/m1/s1.
What are the key properties of (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid?
(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid has a molecular weight of 334.46 g/mol, XLogP of 3.93, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid is sourced from PubChem (CID 56848782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).