acetyl-hydroxy-oxophosphanium

C2H4O3P+ — CID 6365480

IUPACacetyl-hydroxy-oxophosphanium
SMILESCC(=O)[P+](=O)O
InChIInChI=1S/C2H3O3P/c1-2(3)6(4)5/h1H3/p+1
InChIKeyUXWUXWWEYHEDTA-UHFFFAOYSA-O
MW107.02 g/mol
LogP0.27
Rot. Bonds1

About acetyl-hydroxy-oxophosphanium

acetyl-hydroxy-oxophosphanium (PubChem CID 6365480) has the molecular formula C2H4O3P+ and a molecular weight of 107.02 g/mol. Its IUPAC name is acetyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Nameacetyl-hydroxy-oxophosphanium
PubChem CID6365480
Molecular FormulaC2H4O3P+
Molecular Weight107.02 g/mol
Exact Mass106.99
IUPAC Nameacetyl-hydroxy-oxophosphanium
SMILESCC(=O)[P+](=O)O
InChIInChI=1S/C2H3O3P/c1-2(3)6(4)5/h1H3/p+1
InChIKeyUXWUXWWEYHEDTA-UHFFFAOYSA-O
XLogP0.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.02
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyl-hydroxy-oxophosphanium?
The IUPAC name of acetyl-hydroxy-oxophosphanium (CID 6365480) is acetyl-hydroxy-oxophosphanium.
What is the SMILES notation for acetyl-hydroxy-oxophosphanium?
The canonical SMILES for acetyl-hydroxy-oxophosphanium is CC(=O)[P+](=O)O.
What is the InChIKey of acetyl-hydroxy-oxophosphanium?
The InChIKey is UXWUXWWEYHEDTA-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3O3P/c1-2(3)6(4)5/h1H3/p+1.
What are the key properties of acetyl-hydroxy-oxophosphanium?
acetyl-hydroxy-oxophosphanium has a molecular weight of 107.02 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-hydroxy-oxophosphanium is sourced from PubChem (CID 6365480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).