2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium

C10H25NO5P+ — CID 123755404

IUPAC2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium
SMILESCCC(CO)COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C10H24NO5P/c1-5-10(8-12)9-16-17(13,14)15-7-6-11(2,3)4/h10,12H,5-9H2,1-4H3/p+1
InChIKeyLLODIBNDYARDBF-UHFFFAOYSA-O
MW270.29 g/mol
LogP0.84
Rot. Bonds9

About 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium (PubChem CID 123755404) has the molecular formula C10H25NO5P+ and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium
PubChem CID123755404
Molecular FormulaC10H25NO5P+
Molecular Weight270.29 g/mol
Exact Mass270.15
IUPAC Name2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium
SMILESCCC(CO)COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C10H24NO5P/c1-5-10(8-12)9-16-17(13,14)15-7-6-11(2,3)4/h10,12H,5-9H2,1-4H3/p+1
InChIKeyLLODIBNDYARDBF-UHFFFAOYSA-O
XLogP0.84
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[hydroxy-[2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-(phosphonooxymethyl)butyl hydrogen phosphate
CID 159554898
2-[hydroxy-[2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-methylsulfanylethyl hydrogen phosphate
CID 157379805
2-[[(2S)-2-hexadecylperoxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 87608427
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
2-[hydroxy-[(2S)-3-hydroxy-2-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
CID 18605430
2-[1,2-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 54074824
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
2-[[(2R)-2-acetyloxy-3-decoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 86289470
2-[2,3-bis[(3,7,11-triethyl-15-methylheptadecanoyl)oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 176967702
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550
2-[[(2R)-2-amino-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 11813200

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium (CID 123755404) is 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium is CCC(CO)COP(=O)(O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is LLODIBNDYARDBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H24NO5P/c1-5-10(8-12)9-16-17(13,14)15-7-6-11(2,3)4/h10,12H,5-9H2,1-4H3/p+1.
What are the key properties of 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium?
2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 270.29 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 123755404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).