henicosyl 2-(trimethylazaniumyl)ethyl phosphate

C26H56NO4P — CID 24836767

IUPAChenicosyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C26H56NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-32(28,29)31-26-24-27(2,3)4/h5-26H2,1-4H3
InChIKeyAYXWLCSJOLIOGL-UHFFFAOYSA-N
MW477.71 g/mol
LogP7.63
Rot. Bonds25

About henicosyl 2-(trimethylazaniumyl)ethyl phosphate

henicosyl 2-(trimethylazaniumyl)ethyl phosphate (PubChem CID 24836767) has the molecular formula C26H56NO4P and a molecular weight of 477.71 g/mol. Its IUPAC name is henicosyl 2-(trimethylazaniumyl)ethyl phosphate.

Molecular Properties

Compound Namehenicosyl 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID24836767
Molecular FormulaC26H56NO4P
Molecular Weight477.71 g/mol
Exact Mass477.39
IUPAC Namehenicosyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C26H56NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-32(28,29)31-26-24-27(2,3)4/h5-26H2,1-4H3
InChIKeyAYXWLCSJOLIOGL-UHFFFAOYSA-N
XLogP7.63
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.71
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze henicosyl 2-(trimethylazaniumyl)ethyl phosphate 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

3-decoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978552
3-octoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978239
decyl(trimethyl)azanium;dioctyl phosphate
CID 170436179
32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
4-(octadecylamino)butyl 2-(trimethylazaniumyl)ethyl phosphate
CID 13282785
[(Z)-icos-11-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922700
[(Z)-tetracos-15-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922751
dibutyl phosphate;hexadecyl(trimethyl)azanium
CID 19078841
diicosyl phosphate
CID 21219883
2-[butyl(dimethyl)azaniumyl]ethyl hexyl phosphate
CID 177436381
2-[hexyl(dimethyl)azaniumyl]ethyl undecyl phosphate
CID 118731034
hexadecyl 2-[methyl(dipropyl)azaniumyl]ethyl phosphate
CID 44612947

Frequently Asked Questions

What is the IUPAC name of henicosyl 2-(trimethylazaniumyl)ethyl phosphate?
The IUPAC name of henicosyl 2-(trimethylazaniumyl)ethyl phosphate (CID 24836767) is henicosyl 2-(trimethylazaniumyl)ethyl phosphate.
What is the SMILES notation for henicosyl 2-(trimethylazaniumyl)ethyl phosphate?
The canonical SMILES for henicosyl 2-(trimethylazaniumyl)ethyl phosphate is CCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C.
What is the InChIKey of henicosyl 2-(trimethylazaniumyl)ethyl phosphate?
The InChIKey is AYXWLCSJOLIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-32(28,29)31-26-24-27(2,3)4/h5-26H2,1-4H3.
What are the key properties of henicosyl 2-(trimethylazaniumyl)ethyl phosphate?
henicosyl 2-(trimethylazaniumyl)ethyl phosphate has a molecular weight of 477.71 g/mol, XLogP of 7.63, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for henicosyl 2-(trimethylazaniumyl)ethyl phosphate is sourced from PubChem (CID 24836767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).