[(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium

C26H53NO4P+ — CID 87062119

IUPAC[(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium
SMILESCCCCCC/C=C\CCCCCCC/C=C\CCCCC(O)(C[N+](C)(C)C)P(=O)(O)O
InChIInChI=1S/C26H52NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28,32(29,30)31)25-27(2,3)4/h10-11,19-20,28H,5-9,12-18,21-25H2,1-4H3,(H-,29,30,31)/p+1/b11-10-,20-19-
InChIKeyHRGMKCOOFMOZAI-WTIALUBOSA-O
MW474.69 g/mol
LogP6.93
Rot. Bonds21

About [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium

[(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium (PubChem CID 87062119) has the molecular formula C26H53NO4P+ and a molecular weight of 474.69 g/mol. Its IUPAC name is [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium.

Molecular Properties

Compound Name[(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium
PubChem CID87062119
Molecular FormulaC26H53NO4P+
Molecular Weight474.69 g/mol
Exact Mass474.37
IUPAC Name[(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium
SMILESCCCCCC/C=C\CCCCCCC/C=C\CCCCC(O)(C[N+](C)(C)C)P(=O)(O)O
InChIInChI=1S/C26H52NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28,32(29,30)31)25-27(2,3)4/h10-11,19-20,28H,5-9,12-18,21-25H2,1-4H3,(H-,29,30,31)/p+1/b11-10-,20-19-
InChIKeyHRGMKCOOFMOZAI-WTIALUBOSA-O
XLogP6.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 56.93
H-Bond Donors ≤ 53
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(7Z,15Z)-2-hydroxy-2-phosphonohenicosa-7,15-dienyl]-trimethylazanium
CID 87061664
[(8Z,17Z)-2-hydroxy-2-phosphonotetracosa-8,17-dienyl]-trimethylazanium
CID 87062401
[(Z)-2-hydroxy-2-phosphonoicos-11-enyl]-trimethylazanium
CID 87119575
[(11Z,17Z)-2-hydroxy-2-phosphonoheptacosa-11,17-dienyl]-trimethylazanium
CID 87062670
[(9Z,18Z)-2-hydroxy-2-phosphonotetracosa-9,18-dienyl]-trimethylazanium
CID 87061849
[(7Z,18Z)-2-hydroxy-2-phosphonopentacosa-7,18-dienyl]-trimethylazanium
CID 87062858
[(Z)-2-hydroxy-2-phosphonoicos-13-enyl]-trimethylazanium
CID 87061778
[(Z)-2-hydroxy-2-phosphonohexacos-13-enyl]-trimethylazanium
CID 87062195
[(Z)-2-hydroxy-2-phosphonotetracos-7-enyl]-trimethylazanium
CID 87062048
[(Z)-2-hydroxy-2-phosphonotetracos-13-enyl]-trimethylazanium
CID 87991338
[(Z)-2-hydroxy-2-phosphonotricos-8-enyl]-trimethylazanium
CID 87061614
[(9Z,17Z)-2-hydroxy-2-phosphonotetracosa-9,17-dienyl]-trimethylazanium
CID 87062190

Frequently Asked Questions

What is the IUPAC name of [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium?
The IUPAC name of [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium (CID 87062119) is [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium.
What is the SMILES notation for [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium?
The canonical SMILES for [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium is CCCCCC/C=C\CCCCCCC/C=C\CCCCC(O)(C[N+](C)(C)C)P(=O)(O)O.
What is the InChIKey of [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium?
The InChIKey is HRGMKCOOFMOZAI-WTIALUBOSA-O. The full InChI is InChI=1S/C26H52NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28,32(29,30)31)25-27(2,3)4/h10-11,19-20,28H,5-9,12-18,21-25H2,1-4H3,(H-,29,30,31)/p+1/b11-10-,20-19-.
What are the key properties of [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium?
[(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium has a molecular weight of 474.69 g/mol, XLogP of 6.93, 21 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium is sourced from PubChem (CID 87062119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).