sodium hydroxy(propanoyl)phosphinate

C3H6NaO4P — CID 10130095

IUPACsodium hydroxy(propanoyl)phosphinate
SMILESCCC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C3H7O4P.Na/c1-2-3(4)8(5,6)7;/h2H2,1H3,(H2,5,6,7);/q;+1/p-1
InChIKeyYESZIXQHJSZDMU-UHFFFAOYSA-M
MW160.04 g/mol
LogP-3.53
Rot. Bonds2

About sodium hydroxy(propanoyl)phosphinate

sodium hydroxy(propanoyl)phosphinate (PubChem CID 10130095) has the molecular formula C3H6NaO4P and a molecular weight of 160.04 g/mol. Its IUPAC name is sodium hydroxy(propanoyl)phosphinate.

Molecular Properties

Compound Namesodium hydroxy(propanoyl)phosphinate
PubChem CID10130095
Molecular FormulaC3H6NaO4P
Molecular Weight160.04 g/mol
Exact Mass159.99
IUPAC Namesodium hydroxy(propanoyl)phosphinate
SMILESCCC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C3H7O4P.Na/c1-2-3(4)8(5,6)7;/h2H2,1H3,(H2,5,6,7);/q;+1/p-1
InChIKeyYESZIXQHJSZDMU-UHFFFAOYSA-M
XLogP-3.53
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.04
LogP ≤ 5-3.53
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 hydroxy(propanoyl)phosphinate?
The IUPAC name of sodium hydroxy(propanoyl)phosphinate (CID 10130095) is sodium hydroxy(propanoyl)phosphinate.
What is the SMILES notation for sodium hydroxy(propanoyl)phosphinate?
The canonical SMILES for sodium hydroxy(propanoyl)phosphinate is CCC(=O)P(=O)([O-])O.[Na+].
What is the InChIKey of sodium hydroxy(propanoyl)phosphinate?
The InChIKey is YESZIXQHJSZDMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O4P.Na/c1-2-3(4)8(5,6)7;/h2H2,1H3,(H2,5,6,7);/q;+1/p-1.
What are the key properties of sodium hydroxy(propanoyl)phosphinate?
sodium hydroxy(propanoyl)phosphinate has a molecular weight of 160.04 g/mol, XLogP of -3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy(propanoyl)phosphinate is sourced from PubChem (CID 10130095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).