20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid

C20H30O5 — CID 141495039

IUPAC20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
SMILESO=C(O)C=CC=CC=CC=CC=CCCCCCCCCC(O)(O)O
InChIInChI=1S/C20H30O5/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23,24)25/h1-3,5,7,9,11,13,15,17,23-25H,4,6,8,10,12,14,16,18H2,(H,21,22)
InChIKeyITSSJJJMNZNWMD-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.60
Rot. Bonds14

About 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid

20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid (PubChem CID 141495039) has the molecular formula C20H30O5 and a molecular weight of 350.45 g/mol. Its IUPAC name is 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid.

Molecular Properties

Compound Name20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
PubChem CID141495039
Molecular FormulaC20H30O5
Molecular Weight350.45 g/mol
Exact Mass350.21
IUPAC Name20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
SMILESO=C(O)C=CC=CC=CC=CC=CCCCCCCCCC(O)(O)O
InChIInChI=1S/C20H30O5/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23,24)25/h1-3,5,7,9,11,13,15,17,23-25H,4,6,8,10,12,14,16,18H2,(H,21,22)
InChIKeyITSSJJJMNZNWMD-UHFFFAOYSA-N
XLogP3.60
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

22,22,22-trihydroxydocosa-2,4,6,8,10-pentaenoic acid
CID 140712327
(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid
CID 151728816
20-oxoicosa-2,4,6,8-tetraenoic acid
CID 54530292
calcium;docosa-2,4,6,8,10,12-hexaenoic acid;hydride
CID 175071372
(2E,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 156787428
(2E)-octadeca-2,4,6,8-tetraenoic acid
CID 89498479
tricosa-2,4,6,8-tetraenoic acid
CID 53406034
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
nonadeca-2,4,6-trienedioic acid
CID 123861344

Frequently Asked Questions

What is the IUPAC name of 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
The IUPAC name of 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid (CID 141495039) is 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid.
What is the SMILES notation for 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
The canonical SMILES for 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid is O=C(O)C=CC=CC=CC=CC=CCCCCCCCCC(O)(O)O.
What is the InChIKey of 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
The InChIKey is ITSSJJJMNZNWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O5/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23,24)25/h1-3,5,7,9,11,13,15,17,23-25H,4,6,8,10,12,14,16,18H2,(H,21,22).
What are the key properties of 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid has a molecular weight of 350.45 g/mol, XLogP of 3.60, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid is sourced from PubChem (CID 141495039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).