trisodium;1H-imidazole;phosphate

C3H4N2Na3O4P — CID 158230782

IUPACtrisodium;1H-imidazole;phosphate
SMILESO=P([O-])([O-])[O-].[Na+].[Na+].[Na+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.3Na.H3O4P/c1-2-5-3-4-1;;;;1-5(2,3)4/h1-3H,(H,4,5);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyGEIYJDBCPAXEGO-UHFFFAOYSA-K
MW232.02 g/mol
LogP-11.40
Rot. Bonds

About trisodium;1H-imidazole;phosphate

trisodium;1H-imidazole;phosphate (PubChem CID 158230782) has the molecular formula C3H4N2Na3O4P and a molecular weight of 232.02 g/mol. Its IUPAC name is trisodium;1H-imidazole;phosphate.

Molecular Properties

Compound Nametrisodium;1H-imidazole;phosphate
PubChem CID158230782
Molecular FormulaC3H4N2Na3O4P
Molecular Weight232.02 g/mol
Exact Mass231.96
IUPAC Nametrisodium;1H-imidazole;phosphate
SMILESO=P([O-])([O-])[O-].[Na+].[Na+].[Na+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.3Na.H3O4P/c1-2-5-3-4-1;;;;1-5(2,3)4/h1-3H,(H,4,5);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyGEIYJDBCPAXEGO-UHFFFAOYSA-K
XLogP-11.40
TPSA114.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 5-11.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trisodium;1H-imidazole;phosphate?
The IUPAC name of trisodium;1H-imidazole;phosphate (CID 158230782) is trisodium;1H-imidazole;phosphate.
What is the SMILES notation for trisodium;1H-imidazole;phosphate?
The canonical SMILES for trisodium;1H-imidazole;phosphate is O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].c1c[nH]cn1.
What is the InChIKey of trisodium;1H-imidazole;phosphate?
The InChIKey is GEIYJDBCPAXEGO-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H4N2.3Na.H3O4P/c1-2-5-3-4-1;;;;1-5(2,3)4/h1-3H,(H,4,5);;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;1H-imidazole;phosphate?
trisodium;1H-imidazole;phosphate has a molecular weight of 232.02 g/mol, XLogP of -11.40, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;1H-imidazole;phosphate is sourced from PubChem (CID 158230782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).