sodium;carbanide;methylphosphonic acid

C2H8NaO3P — CID 157106296

IUPACsodium;carbanide;methylphosphonic acid
SMILESCP(=O)(O)O.[CH3-].[Na+]
InChIInChI=1S/CH5O3P.CH3.Na/c1-5(2,3)4;;/h1H3,(H2,2,3,4);1H3;/q;-1;+1
InChIKeyQFNUKCSQBDLKKL-UHFFFAOYSA-N
MW134.05 g/mol
LogP-2.75
Rot. Bonds

About sodium;carbanide;methylphosphonic acid

sodium;carbanide;methylphosphonic acid (PubChem CID 157106296) has the molecular formula C2H8NaO3P and a molecular weight of 134.05 g/mol. Its IUPAC name is sodium;carbanide;methylphosphonic acid.

Molecular Properties

Compound Namesodium;carbanide;methylphosphonic acid
PubChem CID157106296
Molecular FormulaC2H8NaO3P
Molecular Weight134.05 g/mol
Exact Mass134.01
IUPAC Namesodium;carbanide;methylphosphonic acid
SMILESCP(=O)(O)O.[CH3-].[Na+]
InChIInChI=1S/CH5O3P.CH3.Na/c1-5(2,3)4;;/h1H3,(H2,2,3,4);1H3;/q;-1;+1
InChIKeyQFNUKCSQBDLKKL-UHFFFAOYSA-N
XLogP-2.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 5-2.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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dimethylphosphinic acid;ethene
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sodium;carbanide;phosphoric acid;zinc
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[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
methylphosphonic acid;trimethylphosphane;hydroiodide
CID 175283104
ethane-1,2-diamine;methylphosphonic acid
CID 19349473
dimethylphosphinic acid;hydroxy-dimethyl-sulfanylidene-λ5-phosphane;methane;methylphosphonic acid
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CID 161015324

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;methylphosphonic acid?
The IUPAC name of sodium;carbanide;methylphosphonic acid (CID 157106296) is sodium;carbanide;methylphosphonic acid.
What is the SMILES notation for sodium;carbanide;methylphosphonic acid?
The canonical SMILES for sodium;carbanide;methylphosphonic acid is CP(=O)(O)O.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;methylphosphonic acid?
The InChIKey is QFNUKCSQBDLKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O3P.CH3.Na/c1-5(2,3)4;;/h1H3,(H2,2,3,4);1H3;/q;-1;+1.
What are the key properties of sodium;carbanide;methylphosphonic acid?
sodium;carbanide;methylphosphonic acid has a molecular weight of 134.05 g/mol, XLogP of -2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;methylphosphonic acid is sourced from PubChem (CID 157106296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).