(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid

C22H36O4 — CID 135226178

IUPAC(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@@H](O)CCCCCCCCC(=O)O
InChIInChI=1S/C22H36O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,8-10,12-13,17-18,20-21,23-24H,2,4-7,11,14-16,19H2,1H3,(H,25,26)/b9-8-,10-3-,17-12+,18-13+/t20-,21-/m0/s1
InChIKeyQDNDAYLDIZBETM-JIZXNDQTSA-N
MW364.53 g/mol
LogP4.94
Rot. Bonds16

About (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid

(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid (PubChem CID 135226178) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid.

Molecular Properties

Compound Name(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
PubChem CID135226178
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@@H](O)CCCCCCCCC(=O)O
InChIInChI=1S/C22H36O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,8-10,12-13,17-18,20-21,23-24H,2,4-7,11,14-16,19H2,1H3,(H,25,26)/b9-8-,10-3-,17-12+,18-13+/t20-,21-/m0/s1
InChIKeyQDNDAYLDIZBETM-JIZXNDQTSA-N
XLogP4.94
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.94
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 (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid with MolForge

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Related Compounds

(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid
CID 162821627
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
CID 71665428
(8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid
CID 89319513
(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
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid
CID 23872026
(9R,10S,11E,13R,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid
CID 93062009
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611

Frequently Asked Questions

What is the IUPAC name of (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid?
The IUPAC name of (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid (CID 135226178) is (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid.
What is the SMILES notation for (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid?
The canonical SMILES for (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid is CC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@@H](O)CCCCCCCCC(=O)O.
What is the InChIKey of (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid?
The InChIKey is QDNDAYLDIZBETM-JIZXNDQTSA-N. The full InChI is InChI=1S/C22H36O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,8-10,12-13,17-18,20-21,23-24H,2,4-7,11,14-16,19H2,1H3,(H,25,26)/b9-8-,10-3-,17-12+,18-13+/t20-,21-/m0/s1.
What are the key properties of (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid?
(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid has a molecular weight of 364.53 g/mol, XLogP of 4.94, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid is sourced from PubChem (CID 135226178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).