sodium;dihydrogen phosphate;1H-imidazole

C3H6N2NaO4P — CID 174962413

IUPACsodium;dihydrogen phosphate;1H-imidazole
SMILESO=P([O-])(O)O.[Na+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Na.H3O4P/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyNFYNEWCDMKNLIU-UHFFFAOYSA-M
MW188.06 g/mol
LogP-4.15
Rot. Bonds

About sodium;dihydrogen phosphate;1H-imidazole

sodium;dihydrogen phosphate;1H-imidazole (PubChem CID 174962413) has the molecular formula C3H6N2NaO4P and a molecular weight of 188.06 g/mol. Its IUPAC name is sodium;dihydrogen phosphate;1H-imidazole.

Molecular Properties

Compound Namesodium;dihydrogen phosphate;1H-imidazole
PubChem CID174962413
Molecular FormulaC3H6N2NaO4P
Molecular Weight188.06 g/mol
Exact Mass188.00
IUPAC Namesodium;dihydrogen phosphate;1H-imidazole
SMILESO=P([O-])(O)O.[Na+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Na.H3O4P/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyNFYNEWCDMKNLIU-UHFFFAOYSA-M
XLogP-4.15
TPSA109.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 5-4.15
H-Bond Donors ≤ 53
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;dihydrogen phosphate;1H-imidazole?
The IUPAC name of sodium;dihydrogen phosphate;1H-imidazole (CID 174962413) is sodium;dihydrogen phosphate;1H-imidazole.
What is the SMILES notation for sodium;dihydrogen phosphate;1H-imidazole?
The canonical SMILES for sodium;dihydrogen phosphate;1H-imidazole is O=P([O-])(O)O.[Na+].c1c[nH]cn1.
What is the InChIKey of sodium;dihydrogen phosphate;1H-imidazole?
The InChIKey is NFYNEWCDMKNLIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2.Na.H3O4P/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H3,1,2,3,4)/q;+1;/p-1.
What are the key properties of sodium;dihydrogen phosphate;1H-imidazole?
sodium;dihydrogen phosphate;1H-imidazole has a molecular weight of 188.06 g/mol, XLogP of -4.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydrogen phosphate;1H-imidazole is sourced from PubChem (CID 174962413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).