sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate

C19H29NaO3 — CID 23694179

IUPACsodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate
SMILESCCCCC(O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[Na+]
InChIInChI=1S/C19H30O3.Na/c1-2-3-15-18(20)16-13-11-9-7-5-4-6-8-10-12-14-17-19(21)22;/h4-5,8-11,13,16,18,20H,2-3,6-7,12,14-15,17H2,1H3,(H,21,22);/q;+1/p-1/b5-4-,10-8-,11-9-,16-13+;
InChIKeyFBYOXHKLMAHLEV-QIRWNGPISA-M
MW328.43 g/mol
LogP0.47
Rot. Bonds13

About sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate

sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate (PubChem CID 23694179) has the molecular formula C19H29NaO3 and a molecular weight of 328.43 g/mol. Its IUPAC name is sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate.

Molecular Properties

Compound Namesodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate
PubChem CID23694179
Molecular FormulaC19H29NaO3
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Namesodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate
SMILESCCCCC(O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[Na+]
InChIInChI=1S/C19H30O3.Na/c1-2-3-15-18(20)16-13-11-9-7-5-4-6-8-10-12-14-17-19(21)22;/h4-5,8-11,13,16,18,20H,2-3,6-7,12,14-15,17H2,1H3,(H,21,22);/q;+1/p-1/b5-4-,10-8-,11-9-,16-13+;
InChIKeyFBYOXHKLMAHLEV-QIRWNGPISA-M
XLogP0.47
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.47
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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Related Compounds

(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
sodium 15-hydroperoxyicosa-5,8,11,13-tetraenoate
CID 141454510
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
methyl (5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoate
CID 13213512
ethyl 15-hydroxyicosa-5,8,11,13-tetraenoate
CID 72739138
sodium (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310855
17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
CID 73026130
(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
CID 6443898
(3R,4E,6Z,9Z,12Z,14E,16S)-icosa-4,6,9,12,14-pentaene-3,16-diol
CID 87523165
(5Z,11Z,14Z)-icosa-5,11,14-trienoate
CID 40575468

Frequently Asked Questions

What is the IUPAC name of sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate?
The IUPAC name of sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate (CID 23694179) is sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate.
What is the SMILES notation for sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate?
The canonical SMILES for sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate is CCCCC(O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[Na+].
What is the InChIKey of sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate?
The InChIKey is FBYOXHKLMAHLEV-QIRWNGPISA-M. The full InChI is InChI=1S/C19H30O3.Na/c1-2-3-15-18(20)16-13-11-9-7-5-4-6-8-10-12-14-17-19(21)22;/h4-5,8-11,13,16,18,20H,2-3,6-7,12,14-15,17H2,1H3,(H,21,22);/q;+1/p-1/b5-4-,10-8-,11-9-,16-13+;.
What are the key properties of sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate?
sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate has a molecular weight of 328.43 g/mol, XLogP of 0.47, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate is sourced from PubChem (CID 23694179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).