7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid

C22H34O5 — CID 162821627

IUPAC7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid
SMILESCCC(O)C=CC=CC=CC(O)CC=CC=CC(O)CCCCCC(=O)O
InChIInChI=1S/C22H34O5/c1-2-19(23)13-7-3-4-8-14-20(24)15-9-5-10-16-21(25)17-11-6-12-18-22(26)27/h3-5,7-10,13-14,16,19-21,23-25H,2,6,11-12,15,17-18H2,1H3,(H,26,27)
InChIKeyGGPSRSCVYRYOSY-UHFFFAOYSA-N
MW378.51 g/mol
LogP3.69
Rot. Bonds15

About 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid

7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid (PubChem CID 162821627) has the molecular formula C22H34O5 and a molecular weight of 378.51 g/mol. Its IUPAC name is 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid.

Molecular Properties

Compound Name7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid
PubChem CID162821627
Molecular FormulaC22H34O5
Molecular Weight378.51 g/mol
Exact Mass378.24
IUPAC Name7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid
SMILESCCC(O)C=CC=CC=CC(O)CC=CC=CC(O)CCCCCC(=O)O
InChIInChI=1S/C22H34O5/c1-2-19(23)13-7-3-4-8-14-20(24)15-9-5-10-16-21(25)17-11-6-12-18-22(26)27/h3-5,7-10,13-14,16,19-21,23-25H,2,6,11-12,15,17-18H2,1H3,(H,26,27)
InChIKeyGGPSRSCVYRYOSY-UHFFFAOYSA-N
XLogP3.69
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R,6E,8Z,10E,12S,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
CID 131769819
(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
CID 135226178
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
sodium (5S,6E,8E,10E,12R,14E,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
CID 171042279
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358
(8S,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 6610237
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
CID 71665428

Frequently Asked Questions

What is the IUPAC name of 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid?
The IUPAC name of 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid (CID 162821627) is 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid.
What is the SMILES notation for 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid?
The canonical SMILES for 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid is CCC(O)C=CC=CC=CC(O)CC=CC=CC(O)CCCCCC(=O)O.
What is the InChIKey of 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid?
The InChIKey is GGPSRSCVYRYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O5/c1-2-19(23)13-7-3-4-8-14-20(24)15-9-5-10-16-21(25)17-11-6-12-18-22(26)27/h3-5,7-10,13-14,16,19-21,23-25H,2,6,11-12,15,17-18H2,1H3,(H,26,27).
What are the key properties of 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid?
7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid has a molecular weight of 378.51 g/mol, XLogP of 3.69, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid is sourced from PubChem (CID 162821627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).