(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid

C22H32O4 — CID 123964857

IUPAC(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
SMILESCCC=CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCC(=O)O
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/t20-,21-/m0/s1
InChIKeyHLHYXXBCQOUTGK-SFTDATJTSA-N
MW360.49 g/mol
LogP4.49
Rot. Bonds14

About (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid

(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid (PubChem CID 123964857) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid.

Molecular Properties

Compound Name(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
PubChem CID123964857
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
SMILESCCC=CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCC(=O)O
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/t20-,21-/m0/s1
InChIKeyHLHYXXBCQOUTGK-SFTDATJTSA-N
XLogP4.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(4E,7E,10E,13E,17E,19E)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
CID 171376368
(4Z,7Z,10Z,13R,14E,16Z,18E,20R)-13,20-dihydroxydocosa-4,7,10,14,16,18-hexaenoic acid
CID 87059786
14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123664442
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(4E,7R,8E,10E,12E,14E,17R,19E)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
CID 101493286
(4Z,7S,8R,9Z,11Z,13E,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
CID 35021420

Frequently Asked Questions

What is the IUPAC name of (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid?
The IUPAC name of (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid (CID 123964857) is (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid.
What is the SMILES notation for (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid?
The canonical SMILES for (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid is CCC=CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCC(=O)O.
What is the InChIKey of (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid?
The InChIKey is HLHYXXBCQOUTGK-SFTDATJTSA-N. The full InChI is InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/t20-,21-/m0/s1.
What are the key properties of (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid?
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid has a molecular weight of 360.49 g/mol, XLogP of 4.49, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid is sourced from PubChem (CID 123964857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).