(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid

C22H34O3 — CID 71446611

IUPAC(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
SMILESCCC=CCC=CCC=CC=C[C@H](O)CC=CCCCCCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18,21,23H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyMGUZOUCQDDHSGO-NRFANRHFSA-N
MW346.51 g/mol
LogP5.74
Rot. Bonds15

About (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid

(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid (PubChem CID 71446611) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid.

Molecular Properties

Compound Name(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
PubChem CID71446611
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
SMILESCCC=CCC=CCC=CC=C[C@H](O)CC=CCCCCCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18,21,23H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyMGUZOUCQDDHSGO-NRFANRHFSA-N
XLogP5.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
sodium (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310855
(16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide
CID 162756964
methyl (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310865

Frequently Asked Questions

What is the IUPAC name of (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid?
The IUPAC name of (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid (CID 71446611) is (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid.
What is the SMILES notation for (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid?
The canonical SMILES for (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid is CCC=CCC=CCC=CC=C[C@H](O)CC=CCCCCCC(=O)O.
What is the InChIKey of (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid?
The InChIKey is MGUZOUCQDDHSGO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18,21,23H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid?
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid has a molecular weight of 346.51 g/mol, XLogP of 5.74, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid is sourced from PubChem (CID 71446611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).