sodium acetyl(methoxy)phosphinate

C3H6NaO4P — CID 23674726

IUPACsodium acetyl(methoxy)phosphinate
SMILESCOP(=O)([O-])C(C)=O.[Na+]
InChIInChI=1S/C3H7O4P.Na/c1-3(4)8(5,6)7-2;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyCQZYKOIQTWFNAS-UHFFFAOYSA-M
MW160.04 g/mol
LogP-3.26
Rot. Bonds2

About sodium acetyl(methoxy)phosphinate

sodium acetyl(methoxy)phosphinate (PubChem CID 23674726) has the molecular formula C3H6NaO4P and a molecular weight of 160.04 g/mol. Its IUPAC name is sodium acetyl(methoxy)phosphinate.

Molecular Properties

Compound Namesodium acetyl(methoxy)phosphinate
PubChem CID23674726
Molecular FormulaC3H6NaO4P
Molecular Weight160.04 g/mol
Exact Mass159.99
IUPAC Namesodium acetyl(methoxy)phosphinate
SMILESCOP(=O)([O-])C(C)=O.[Na+]
InChIInChI=1S/C3H7O4P.Na/c1-3(4)8(5,6)7-2;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyCQZYKOIQTWFNAS-UHFFFAOYSA-M
XLogP-3.26
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.04
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(methoxy)phosphinate?
The IUPAC name of sodium acetyl(methoxy)phosphinate (CID 23674726) is sodium acetyl(methoxy)phosphinate.
What is the SMILES notation for sodium acetyl(methoxy)phosphinate?
The canonical SMILES for sodium acetyl(methoxy)phosphinate is COP(=O)([O-])C(C)=O.[Na+].
What is the InChIKey of sodium acetyl(methoxy)phosphinate?
The InChIKey is CQZYKOIQTWFNAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O4P.Na/c1-3(4)8(5,6)7-2;/h1-2H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium acetyl(methoxy)phosphinate?
sodium acetyl(methoxy)phosphinate has a molecular weight of 160.04 g/mol, XLogP of -3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium acetyl(methoxy)phosphinate is sourced from PubChem (CID 23674726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).