(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate

C20H31O3- — CID 51404095

IUPAC(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
InChIKeyZNHVWPKMFKADKW-ZYBDYUKJSA-M
MW319.46 g/mol
LogP3.85
Rot. Bonds14

About (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate

(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate (PubChem CID 51404095) has the molecular formula C20H31O3- and a molecular weight of 319.46 g/mol. Its IUPAC name is (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate.

Molecular Properties

Compound Name(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate
PubChem CID51404095
Molecular FormulaC20H31O3-
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
InChIKeyZNHVWPKMFKADKW-ZYBDYUKJSA-M
XLogP3.85
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate?
The IUPAC name of (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate (CID 51404095) is (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate.
What is the SMILES notation for (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate?
The canonical SMILES for (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate is CCCCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-].
What is the InChIKey of (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate?
The InChIKey is ZNHVWPKMFKADKW-ZYBDYUKJSA-M. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1.
What are the key properties of (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate?
(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate has a molecular weight of 319.46 g/mol, XLogP of 3.85, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate is sourced from PubChem (CID 51404095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).