[(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium

C24H51NO4P+ — CID 87062391

IUPAC[(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium
SMILESC/C=C\CCCCCCCCCCCCCCCCC(O)(C[N+](C)(C)C)P(=O)(O)O
InChIInChI=1S/C24H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26,30(27,28)29)23-25(2,3)4/h5-6,26H,7-23H2,1-4H3,(H-,27,28,29)/p+1/b6-5-
InChIKeyVZIDRGGQZRMCTB-WAYWQWQTSA-O
MW448.65 g/mol
LogP6.38
Rot. Bonds20

About [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium

[(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium (PubChem CID 87062391) has the molecular formula C24H51NO4P+ and a molecular weight of 448.65 g/mol. Its IUPAC name is [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium.

Molecular Properties

Compound Name[(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium
PubChem CID87062391
Molecular FormulaC24H51NO4P+
Molecular Weight448.65 g/mol
Exact Mass448.36
IUPAC Name[(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium
SMILESC/C=C\CCCCCCCCCCCCCCCCC(O)(C[N+](C)(C)C)P(=O)(O)O
InChIInChI=1S/C24H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26,30(27,28)29)23-25(2,3)4/h5-6,26H,7-23H2,1-4H3,(H-,27,28,29)/p+1/b6-5-
InChIKeyVZIDRGGQZRMCTB-WAYWQWQTSA-O
XLogP6.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 56.38
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

[(12Z,19Z)-2-hydroxy-2-phosphonotetracosa-12,19-dienyl]-trimethylazanium
CID 87061989
[(11Z,21Z)-2-hydroxy-2-phosphonotetracosa-11,21-dienyl]-trimethylazanium
CID 87061855
[(9Z,20Z)-2-hydroxy-2-phosphonopentacosa-9,20-dienyl]-trimethylazanium
CID 87061671
[(7Z,15Z)-2-hydroxy-2-phosphonohenicosa-7,15-dienyl]-trimethylazanium
CID 87061664
[(13Z,20Z)-2-hydroxy-2-phosphonotricosa-13,20-dienyl]-trimethylazanium
CID 87062535
[(12Z,22Z)-2-hydroxy-2-phosphonoheptacosa-12,22-dienyl]-trimethylazanium
CID 87062614
[(8Z,19Z)-2-hydroxy-2-phosphonodocosa-8,19-dienyl]-trimethylazanium
CID 87063005
[(8Z,17Z)-2-hydroxy-2-phosphonotetracosa-8,17-dienyl]-trimethylazanium
CID 87062401
[(Z)-2-hydroxy-2-phosphonoicos-11-enyl]-trimethylazanium
CID 87119575
[(7Z,16Z)-2-hydroxy-2-phosphonotricosa-7,16-dienyl]-trimethylazanium
CID 87062119
[(11Z,17Z)-2-hydroxy-2-phosphonoheptacosa-11,17-dienyl]-trimethylazanium
CID 87062670
[(9Z,18Z)-2-hydroxy-2-phosphonotetracosa-9,18-dienyl]-trimethylazanium
CID 87061849

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium?
The IUPAC name of [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium (CID 87062391) is [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium.
What is the SMILES notation for [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium?
The canonical SMILES for [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium is C/C=C\CCCCCCCCCCCCCCCCC(O)(C[N+](C)(C)C)P(=O)(O)O.
What is the InChIKey of [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium?
The InChIKey is VZIDRGGQZRMCTB-WAYWQWQTSA-O. The full InChI is InChI=1S/C24H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26,30(27,28)29)23-25(2,3)4/h5-6,26H,7-23H2,1-4H3,(H-,27,28,29)/p+1/b6-5-.
What are the key properties of [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium?
[(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium has a molecular weight of 448.65 g/mol, XLogP of 6.38, 20 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-hydroxy-2-phosphonohenicos-19-enyl]-trimethylazanium is sourced from PubChem (CID 87062391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).