azanium tetradecyl phosphate

C14H33NO4P- — CID 19028533

IUPACazanium tetradecyl phosphate
SMILESCCCCCCCCCCCCCCOP(=O)([O-])[O-].[NH4+]
InChIInChI=1S/C14H31O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);1H3/p-1
InChIKeyOYGLWHQYRAHRNH-UHFFFAOYSA-M
MW310.40 g/mol
LogP3.91
Rot. Bonds14

About azanium tetradecyl phosphate

azanium tetradecyl phosphate (PubChem CID 19028533) has the molecular formula C14H33NO4P- and a molecular weight of 310.40 g/mol. Its IUPAC name is azanium tetradecyl phosphate.

Molecular Properties

Compound Nameazanium tetradecyl phosphate
PubChem CID19028533
Molecular FormulaC14H33NO4P-
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Nameazanium tetradecyl phosphate
SMILESCCCCCCCCCCCCCCOP(=O)([O-])[O-].[NH4+]
InChIInChI=1S/C14H31O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);1H3/p-1
InChIKeyOYGLWHQYRAHRNH-UHFFFAOYSA-M
XLogP3.91
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azanium tetradecyl 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

dilithium;tridecyl phosphate
CID 159999815
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
dilithium;tetradecyl phosphate
CID 139820221
calcium dotriacontyl phosphate
CID 164901019
calcium tetradecyl phosphate
CID 172742428
aluminum nonyl phosphate
CID 19089706
bis(neodymium(3+));octyl phosphate
CID 141387677
calcium;sodium;pentadecyl phosphate
CID 172731404
dipotassium;octyl phosphate
CID 29394
dipotassium;tetradecyl phosphate
CID 11089999
dipotassium;octadecyl phosphate
CID 20511704
calcium hexadecyl phosphate
CID 15662538

Frequently Asked Questions

What is the IUPAC name of azanium tetradecyl phosphate?
The IUPAC name of azanium tetradecyl phosphate (CID 19028533) is azanium tetradecyl phosphate.
What is the SMILES notation for azanium tetradecyl phosphate?
The canonical SMILES for azanium tetradecyl phosphate is CCCCCCCCCCCCCCOP(=O)([O-])[O-].[NH4+].
What is the InChIKey of azanium tetradecyl phosphate?
The InChIKey is OYGLWHQYRAHRNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H31O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);1H3/p-1.
What are the key properties of azanium tetradecyl phosphate?
azanium tetradecyl phosphate has a molecular weight of 310.40 g/mol, XLogP of 3.91, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium tetradecyl phosphate is sourced from PubChem (CID 19028533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).