(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid

C20H34O4 — CID 14753472

IUPAC(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
SMILESCCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1
InChIKeyNGTXCORNXNELNU-CHHAPGPYSA-N
MW338.49 g/mol
LogP4.38
Rot. Bonds15

About (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid

(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid (PubChem CID 14753472) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid.

Molecular Properties

Compound Name(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
PubChem CID14753472
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
SMILESCCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1
InChIKeyNGTXCORNXNELNU-CHHAPGPYSA-N
XLogP4.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic 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

(5R,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 51668907
(6E,8E,10E,12E)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
CID 5353726
(11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 87507613
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid
CID 90059451
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061

Frequently Asked Questions

What is the IUPAC name of (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid?
The IUPAC name of (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid (CID 14753472) is (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid.
What is the SMILES notation for (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid?
The canonical SMILES for (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid is CCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O.
What is the InChIKey of (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid?
The InChIKey is NGTXCORNXNELNU-CHHAPGPYSA-N. The full InChI is InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1.
What are the key properties of (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid?
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid has a molecular weight of 338.49 g/mol, XLogP of 4.38, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid is sourced from PubChem (CID 14753472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).