[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium

C8H19NO3P+ — CID 175453056

IUPAC[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCC(O)CP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C8H19NO3P/c1-7(10)6-13(12)8(11)5-9(2,3)4/h7,10,12H,5-6H2,1-4H3/q+1
InChIKeyFUEWSNBYDVJXGF-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.01
Rot. Bonds5

About [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium

[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 175453056) has the molecular formula C8H19NO3P+ and a molecular weight of 208.22 g/mol. Its IUPAC name is [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID175453056
Molecular FormulaC8H19NO3P+
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCC(O)CP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C8H19NO3P/c1-7(10)6-13(12)8(11)5-9(2,3)4/h7,10,12H,5-6H2,1-4H3/q+1
InChIKeyFUEWSNBYDVJXGF-UHFFFAOYSA-N
XLogP-0.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-carboxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154111932
[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154436758
[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175251976
[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175350831
carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136
[2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 173102399
trimethyl-(4-methyl-2-oxopentyl)azanium
CID 14787203
[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate
CID 87864558
butyl 2-methylprop-2-enoate;[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium
CID 87724338
[2-[hexadecanoyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 172687979
[(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium
CID 173359091
1-dichlorophosphanylpropan-2-ol
CID 175474744

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium (CID 175453056) is [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium is CC(O)CP(O)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is FUEWSNBYDVJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3P/c1-7(10)6-13(12)8(11)5-9(2,3)4/h7,10,12H,5-6H2,1-4H3/q+1.
What are the key properties of [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 208.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 175453056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).