[(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium

C26H53NO4P+ — CID 87062480

IUPAC[(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium
SMILESCCCC/C=C\CCCCCCCCCC/C=C\CCCC(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/h8-9,20-21,28H,5-7,10-19,22-25H2,1-4H3,(H-,29,30,31)/p+1/b9-8-,21-20-
InChIKeyPNXLNMUCVFTJLM-CLHZHWCHSA-O
MW474.69 g/mol
LogP6.93
Rot. Bonds21

About [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium

[(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium (PubChem CID 87062480) has the molecular formula C26H53NO4P+ and a molecular weight of 474.69 g/mol. Its IUPAC name is [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium.

Molecular Properties

Compound Name[(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium
PubChem CID87062480
Molecular FormulaC26H53NO4P+
Molecular Weight474.69 g/mol
Exact Mass474.37
IUPAC Name[(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium
SMILESCCCC/C=C\CCCCCCCCCC/C=C\CCCC(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/h8-9,20-21,28H,5-7,10-19,22-25H2,1-4H3,(H-,29,30,31)/p+1/b9-8-,21-20-
InChIKeyPNXLNMUCVFTJLM-CLHZHWCHSA-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

[(6Z,14Z)-2-hydroxy-2-phosphonononadeca-6,14-dienyl]-trimethylazanium
CID 87063117
[(11Z,21Z)-2-hydroxy-2-phosphonohexacosa-11,21-dienyl]-trimethylazanium
CID 87062333
[(6Z,14Z)-2-hydroxy-2-phosphonohexacosa-6,14-dienyl]-trimethylazanium
CID 87061654
[(9Z,20Z)-2-hydroxy-2-phosphonopentacosa-9,20-dienyl]-trimethylazanium
CID 87061671
[(12Z,22Z)-2-hydroxy-2-phosphonoheptacosa-12,22-dienyl]-trimethylazanium
CID 87062614
[(6Z,14Z)-2-hydroxy-2-phosphonotetracosa-6,14-dienyl]-trimethylazanium
CID 87062907
[(12Z,19Z)-2-hydroxy-2-phosphonotetracosa-12,19-dienyl]-trimethylazanium
CID 87061989
[(6Z,15Z)-2-hydroxy-2-phosphonohexacosa-6,15-dienyl]-trimethylazanium
CID 87062583
[(6Z,11Z)-2-hydroxy-2-phosphonononadeca-6,11-dienyl]-trimethylazanium
CID 87062866
[(10Z,14Z)-2-hydroxy-2-phosphonononadeca-10,14-dienyl]-trimethylazanium
CID 87062681
[(6Z,11Z)-2-hydroxy-2-phosphonooctadeca-6,11-dienyl]-trimethylazanium
CID 87061630
[(6Z,11Z)-2-hydroxy-2-phosphonopentacosa-6,11-dienyl]-trimethylazanium
CID 87062848

Frequently Asked Questions

What is the IUPAC name of [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium?
The IUPAC name of [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium (CID 87062480) is [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium.
What is the SMILES notation for [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium?
The canonical SMILES for [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium is CCCC/C=C\CCCCCCCCCC/C=C\CCCC(O)(C[N+](C)(C)C)P(=O)(O)O.
What is the InChIKey of [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium?
The InChIKey is PNXLNMUCVFTJLM-CLHZHWCHSA-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/h8-9,20-21,28H,5-7,10-19,22-25H2,1-4H3,(H-,29,30,31)/p+1/b9-8-,21-20-.
What are the key properties of [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium?
[(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-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 [(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium is sourced from PubChem (CID 87062480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).