tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate

C20H56ClN4O8P — CID 57350182

IUPACtetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=P([O-])([O-])[O-].[Cl-]
InChIInChI=1S/4C5H14NO.ClH.H3O4P/c4*1-6(2,3)4-5-7;;1-5(2,3)4/h4*7H,4-5H2,1-3H3;1H;(H3,1,2,3,4)/q4*+1;;/p-4
InChIKeyXPDLPBKOFKFCKH-UHFFFAOYSA-J
MW547.12 g/mol
LogP-7.08
Rot. Bonds8

About tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate

tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate (PubChem CID 57350182) has the molecular formula C20H56ClN4O8P and a molecular weight of 547.12 g/mol. Its IUPAC name is tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate.

Molecular Properties

Compound Nametetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
PubChem CID57350182
Molecular FormulaC20H56ClN4O8P
Molecular Weight547.12 g/mol
Exact Mass546.35
IUPAC Nametetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=P([O-])([O-])[O-].[Cl-]
InChIInChI=1S/4C5H14NO.ClH.H3O4P/c4*1-6(2,3)4-5-7;;1-5(2,3)4/h4*7H,4-5H2,1-3H3;1H;(H3,1,2,3,4)/q4*+1;;/p-4
InChIKeyXPDLPBKOFKFCKH-UHFFFAOYSA-J
XLogP-7.08
TPSA167.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.12
LogP ≤ 5-7.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;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

calcium;2-hydroxyethyl(trimethyl)azanium;phosphate;hydrochloride
CID 173268854
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
CID 174491788
[chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)
CID 88647845
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
dibutyl phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87313591
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate?
The IUPAC name of tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate (CID 57350182) is tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate.
What is the SMILES notation for tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate?
The canonical SMILES for tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate is C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=P([O-])([O-])[O-].[Cl-].
What is the InChIKey of tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate?
The InChIKey is XPDLPBKOFKFCKH-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H14NO.ClH.H3O4P/c4*1-6(2,3)4-5-7;;1-5(2,3)4/h4*7H,4-5H2,1-3H3;1H;(H3,1,2,3,4)/q4*+1;;/p-4.
What are the key properties of tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate?
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate has a molecular weight of 547.12 g/mol, XLogP of -7.08, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate is sourced from PubChem (CID 57350182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).