azanium didecyl phosphate

C20H46NO4P — CID 157179907

IUPACazanium didecyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCC.[NH4+]
InChIInChI=1S/C20H43O4P.H3N/c1-3-5-7-9-11-13-15-17-19-23-25(21,22)24-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);1H3
InChIKeyAOLIRIYADMDODZ-UHFFFAOYSA-N
MW395.57 g/mol
LogP7.15
Rot. Bonds20

About azanium didecyl phosphate

azanium didecyl phosphate (PubChem CID 157179907) has the molecular formula C20H46NO4P and a molecular weight of 395.57 g/mol. Its IUPAC name is azanium didecyl phosphate.

Molecular Properties

Compound Nameazanium didecyl phosphate
PubChem CID157179907
Molecular FormulaC20H46NO4P
Molecular Weight395.57 g/mol
Exact Mass395.32
IUPAC Nameazanium didecyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCC.[NH4+]
InChIInChI=1S/C20H43O4P.H3N/c1-3-5-7-9-11-13-15-17-19-23-25(21,22)24-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);1H3
InChIKeyAOLIRIYADMDODZ-UHFFFAOYSA-N
XLogP7.15
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 57.15
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'}

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Related Compounds

diicosyl phosphate
CID 21219883
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
ethyl hexyl phosphate
CID 22057005

Frequently Asked Questions

What is the IUPAC name of azanium didecyl phosphate?
The IUPAC name of azanium didecyl phosphate (CID 157179907) is azanium didecyl phosphate.
What is the SMILES notation for azanium didecyl phosphate?
The canonical SMILES for azanium didecyl phosphate is CCCCCCCCCCOP(=O)([O-])OCCCCCCCCCC.[NH4+].
What is the InChIKey of azanium didecyl phosphate?
The InChIKey is AOLIRIYADMDODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O4P.H3N/c1-3-5-7-9-11-13-15-17-19-23-25(21,22)24-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);1H3.
What are the key properties of azanium didecyl phosphate?
azanium didecyl phosphate has a molecular weight of 395.57 g/mol, XLogP of 7.15, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium didecyl phosphate is sourced from PubChem (CID 157179907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).