sodium acetyl(hydroxy)phosphinate

C2H4NaO4P — CID 59855685

IUPACsodium acetyl(hydroxy)phosphinate
SMILESCC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C2H5O4P.Na/c1-2(3)7(4,5)6;/h1H3,(H2,4,5,6);/q;+1/p-1
InChIKeyQLWBPILQJMOYQY-UHFFFAOYSA-M
MW146.01 g/mol
LogP-3.92
Rot. Bonds1

About sodium acetyl(hydroxy)phosphinate

sodium acetyl(hydroxy)phosphinate (PubChem CID 59855685) has the molecular formula C2H4NaO4P and a molecular weight of 146.01 g/mol. Its IUPAC name is sodium acetyl(hydroxy)phosphinate.

Molecular Properties

Compound Namesodium acetyl(hydroxy)phosphinate
PubChem CID59855685
Molecular FormulaC2H4NaO4P
Molecular Weight146.01 g/mol
Exact Mass145.97
IUPAC Namesodium acetyl(hydroxy)phosphinate
SMILESCC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C2H5O4P.Na/c1-2(3)7(4,5)6;/h1H3,(H2,4,5,6);/q;+1/p-1
InChIKeyQLWBPILQJMOYQY-UHFFFAOYSA-M
XLogP-3.92
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.01
LogP ≤ 5-3.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium acetyl(hydroxy)phosphinate?
The IUPAC name of sodium acetyl(hydroxy)phosphinate (CID 59855685) is sodium acetyl(hydroxy)phosphinate.
What is the SMILES notation for sodium acetyl(hydroxy)phosphinate?
The canonical SMILES for sodium acetyl(hydroxy)phosphinate is CC(=O)P(=O)([O-])O.[Na+].
What is the InChIKey of sodium acetyl(hydroxy)phosphinate?
The InChIKey is QLWBPILQJMOYQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5O4P.Na/c1-2(3)7(4,5)6;/h1H3,(H2,4,5,6);/q;+1/p-1.
What are the key properties of sodium acetyl(hydroxy)phosphinate?
sodium acetyl(hydroxy)phosphinate has a molecular weight of 146.01 g/mol, XLogP of -3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium acetyl(hydroxy)phosphinate is sourced from PubChem (CID 59855685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).