trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride

C5H16Cl2NO4P — CID 87786144

IUPACtrimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride
SMILESC[N+](C)(C)CCOP(=O)(O)O.Cl.[Cl-]
InChIInChI=1S/C5H14NO4P.2ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);2*1H
InChIKeyWFNWUOQRKHJJGA-UHFFFAOYSA-N
MW256.07 g/mol
LogP-2.77
Rot. Bonds4

About trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride

trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride (PubChem CID 87786144) has the molecular formula C5H16Cl2NO4P and a molecular weight of 256.07 g/mol. Its IUPAC name is trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Nametrimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride
PubChem CID87786144
Molecular FormulaC5H16Cl2NO4P
Molecular Weight256.07 g/mol
Exact Mass255.02
IUPAC Nametrimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride
SMILESC[N+](C)(C)CCOP(=O)(O)O.Cl.[Cl-]
InChIInChI=1S/C5H14NO4P.2ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);2*1H
InChIKeyWFNWUOQRKHJJGA-UHFFFAOYSA-N
XLogP-2.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;sodium;hydride;trimethyl(2-phosphonooxyethyl)azanium
CID 174453960
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
calcium;hydride;2-hydroxyethyl(trimethyl)azanium;trimethyl(2-phosphonooxyethyl)azanium;hydrochloride
CID 174999238
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
2,3-dihydroxypropanoyl 2,3-dihydroxypropanoate;trimethyl(2-phosphonooxyethyl)azanium;chloride
CID 87760482
fluoro-dimethyl-(2-phosphonooxyethyl)azanium
CID 88909319
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
2-(2-hydroxy-3-phosphonooxypropoxy)ethyl-trimethylazanium
CID 174875717
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride?
The IUPAC name of trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride (CID 87786144) is trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride.
What is the SMILES notation for trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride?
The canonical SMILES for trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride is C[N+](C)(C)CCOP(=O)(O)O.Cl.[Cl-].
What is the InChIKey of trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride?
The InChIKey is WFNWUOQRKHJJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO4P.2ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);2*1H.
What are the key properties of trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride?
trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride has a molecular weight of 256.07 g/mol, XLogP of -2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 87786144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).