sodium acetyl-oxido-oxophosphanium

C2H3NaO3P+ — CID 23701869

IUPACsodium acetyl-oxido-oxophosphanium
SMILESCC(=O)[P+](=O)[O-].[Na+]
InChIInChI=1S/C2H3O3P.Na/c1-2(3)6(4)5;/h1H3;/q;+1
InChIKeyOXASTSZUHOYLHD-UHFFFAOYSA-N
MW129.01 g/mol
LogP-3.36
Rot. Bonds1

About sodium acetyl-oxido-oxophosphanium

sodium acetyl-oxido-oxophosphanium (PubChem CID 23701869) has the molecular formula C2H3NaO3P+ and a molecular weight of 129.01 g/mol. Its IUPAC name is sodium acetyl-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium acetyl-oxido-oxophosphanium
PubChem CID23701869
Molecular FormulaC2H3NaO3P+
Molecular Weight129.01 g/mol
Exact Mass128.97
IUPAC Namesodium acetyl-oxido-oxophosphanium
SMILESCC(=O)[P+](=O)[O-].[Na+]
InChIInChI=1S/C2H3O3P.Na/c1-2(3)6(4)5;/h1H3;/q;+1
InChIKeyOXASTSZUHOYLHD-UHFFFAOYSA-N
XLogP-3.36
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.01
LogP ≤ 5-3.36
H-Bond Donors ≤ 50
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-oxido-oxophosphanium?
The IUPAC name of sodium acetyl-oxido-oxophosphanium (CID 23701869) is sodium acetyl-oxido-oxophosphanium.
What is the SMILES notation for sodium acetyl-oxido-oxophosphanium?
The canonical SMILES for sodium acetyl-oxido-oxophosphanium is CC(=O)[P+](=O)[O-].[Na+].
What is the InChIKey of sodium acetyl-oxido-oxophosphanium?
The InChIKey is OXASTSZUHOYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O3P.Na/c1-2(3)6(4)5;/h1H3;/q;+1.
What are the key properties of sodium acetyl-oxido-oxophosphanium?
sodium acetyl-oxido-oxophosphanium has a molecular weight of 129.01 g/mol, XLogP of -3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium acetyl-oxido-oxophosphanium is sourced from PubChem (CID 23701869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).