[(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium

C22H45NO4P+ — CID 87062464

IUPAC[(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium
SMILESCC/C=C\CCCCCCCC/C=C\CCCC(O)(C[N+](C)(C)C)P(=O)(O)O
InChIInChI=1S/C22H44NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24,28(25,26)27)21-23(2,3)4/h6-7,16-17,24H,5,8-15,18-21H2,1-4H3,(H-,25,26,27)/p+1/b7-6-,17-16-
InChIKeyAGYVGTUDDVIHCS-DNNFRFAMSA-O
MW418.58 g/mol
LogP5.37
Rot. Bonds17

About [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium

[(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium (PubChem CID 87062464) has the molecular formula C22H45NO4P+ and a molecular weight of 418.58 g/mol. Its IUPAC name is [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium.

Molecular Properties

Compound Name[(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium
PubChem CID87062464
Molecular FormulaC22H45NO4P+
Molecular Weight418.58 g/mol
Exact Mass418.31
IUPAC Name[(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium
SMILESCC/C=C\CCCCCCCC/C=C\CCCC(O)(C[N+](C)(C)C)P(=O)(O)O
InChIInChI=1S/C22H44NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24,28(25,26)27)21-23(2,3)4/h6-7,16-17,24H,5,8-15,18-21H2,1-4H3,(H-,25,26,27)/p+1/b7-6-,17-16-
InChIKeyAGYVGTUDDVIHCS-DNNFRFAMSA-O
XLogP5.37
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.37
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'}

Analyze [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(11Z,21Z)-2-hydroxy-2-phosphonotetracosa-11,21-dienyl]-trimethylazanium
CID 87061855
[(13Z,20Z)-2-hydroxy-2-phosphonotricosa-13,20-dienyl]-trimethylazanium
CID 87062535
[(8Z,19Z)-2-hydroxy-2-phosphonodocosa-8,19-dienyl]-trimethylazanium
CID 87063005
[(7Z,16Z)-2-hydroxy-2-phosphonononadeca-7,16-dienyl]-trimethylazanium
CID 87061759
[(13Z,17Z)-2-hydroxy-2-phosphonoicosa-13,17-dienyl]-trimethylazanium
CID 87062169
[(15Z,20Z)-2-hydroxy-2-phosphonotricosa-15,20-dienyl]-trimethylazanium
CID 87062637
[(11Z,15Z)-2-hydroxy-2-phosphonooctadeca-11,15-dienyl]-trimethylazanium
CID 87062472
[(6Z,14Z)-2-hydroxy-2-phosphonotetracosa-6,14-dienyl]-trimethylazanium
CID 87062907
[(6Z,14Z)-2-hydroxy-2-phosphonohexacosa-6,14-dienyl]-trimethylazanium
CID 87061654
[(6Z,14Z)-2-hydroxy-2-phosphonononadeca-6,14-dienyl]-trimethylazanium
CID 87063117
[(6Z,15Z)-2-hydroxy-2-phosphonohexacosa-6,15-dienyl]-trimethylazanium
CID 87062583
[(6Z,18Z)-2-hydroxy-2-phosphonotricosa-6,18-dienyl]-trimethylazanium
CID 87062480

Frequently Asked Questions

What is the IUPAC name of [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium?
The IUPAC name of [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium (CID 87062464) is [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium.
What is the SMILES notation for [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium?
The canonical SMILES for [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium is CC/C=C\CCCCCCCC/C=C\CCCC(O)(C[N+](C)(C)C)P(=O)(O)O.
What is the InChIKey of [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium?
The InChIKey is AGYVGTUDDVIHCS-DNNFRFAMSA-O. The full InChI is InChI=1S/C22H44NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24,28(25,26)27)21-23(2,3)4/h6-7,16-17,24H,5,8-15,18-21H2,1-4H3,(H-,25,26,27)/p+1/b7-6-,17-16-.
What are the key properties of [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium?
[(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium has a molecular weight of 418.58 g/mol, XLogP of 5.37, 17 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z,16Z)-2-hydroxy-2-phosphonononadeca-6,16-dienyl]-trimethylazanium is sourced from PubChem (CID 87062464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).