2-aminoethoxy-hydroxy-oxophosphanium

C2H7NO3P+ — CID 18512670

IUPAC2-aminoethoxy-hydroxy-oxophosphanium
SMILESNCCO[P+](=O)O
InChIInChI=1S/C2H6NO3P/c3-1-2-6-7(4)5/h1-3H2/p+1
InChIKeyXSEZHTAWPPUFMC-UHFFFAOYSA-O
MW124.06 g/mol
LogP-0.39
Rot. Bonds3

About 2-aminoethoxy-hydroxy-oxophosphanium

2-aminoethoxy-hydroxy-oxophosphanium (PubChem CID 18512670) has the molecular formula C2H7NO3P+ and a molecular weight of 124.06 g/mol. Its IUPAC name is 2-aminoethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-aminoethoxy-hydroxy-oxophosphanium
PubChem CID18512670
Molecular FormulaC2H7NO3P+
Molecular Weight124.06 g/mol
Exact Mass124.02
IUPAC Name2-aminoethoxy-hydroxy-oxophosphanium
SMILESNCCO[P+](=O)O
InChIInChI=1S/C2H6NO3P/c3-1-2-6-7(4)5/h1-3H2/p+1
InChIKeyXSEZHTAWPPUFMC-UHFFFAOYSA-O
XLogP-0.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.06
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium
CID 88694405
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
4-bromobutoxy-hydroxy-oxophosphanium
CID 13262446
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine
CID 173408964
ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
bis(butanedioic acid);ethane-1,2-diamine;hydroxy-[[hydroxy(oxo)phosphaniumyl]oxymethoxy]-oxophosphanium;2,3,4,5,6-pentachlorophenol
CID 173288791
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082

Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy-hydroxy-oxophosphanium?
The IUPAC name of 2-aminoethoxy-hydroxy-oxophosphanium (CID 18512670) is 2-aminoethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-aminoethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-aminoethoxy-hydroxy-oxophosphanium is NCCO[P+](=O)O.
What is the InChIKey of 2-aminoethoxy-hydroxy-oxophosphanium?
The InChIKey is XSEZHTAWPPUFMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6NO3P/c3-1-2-6-7(4)5/h1-3H2/p+1.
What are the key properties of 2-aminoethoxy-hydroxy-oxophosphanium?
2-aminoethoxy-hydroxy-oxophosphanium has a molecular weight of 124.06 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 18512670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).