bis(dihydrogen phosphate);1H-imidazole;nickel(2+)

C3H8N2NiO8P2 — CID 162217004

IUPACbis(dihydrogen phosphate);1H-imidazole;nickel(2+)
SMILESO=P([O-])(O)O.O=P([O-])(O)O.[Ni+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Ni.2H3O4P/c1-2-5-3-4-1;;2*1-5(2,3)4/h1-3H,(H,4,5);;2*(H3,1,2,3,4)/q;+2;;/p-2
InChIKeyUTGWOCOBQYERKG-UHFFFAOYSA-L
MW320.74 g/mol
LogP-2.71
Rot. Bonds

About bis(dihydrogen phosphate);1H-imidazole;nickel(2+)

bis(dihydrogen phosphate);1H-imidazole;nickel(2+) (PubChem CID 162217004) has the molecular formula C3H8N2NiO8P2 and a molecular weight of 320.74 g/mol. Its IUPAC name is bis(dihydrogen phosphate);1H-imidazole;nickel(2+).

Molecular Properties

Compound Namebis(dihydrogen phosphate);1H-imidazole;nickel(2+)
PubChem CID162217004
Molecular FormulaC3H8N2NiO8P2
Molecular Weight320.74 g/mol
Exact Mass319.91
IUPAC Namebis(dihydrogen phosphate);1H-imidazole;nickel(2+)
SMILESO=P([O-])(O)O.O=P([O-])(O)O.[Ni+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Ni.2H3O4P/c1-2-5-3-4-1;;2*1-5(2,3)4/h1-3H,(H,4,5);;2*(H3,1,2,3,4)/q;+2;;/p-2
InChIKeyUTGWOCOBQYERKG-UHFFFAOYSA-L
XLogP-2.71
TPSA189.86 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 5-2.71
H-Bond Donors ≤ 55
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 bis(dihydrogen phosphate);1H-imidazole;nickel(2+)?
The IUPAC name of bis(dihydrogen phosphate);1H-imidazole;nickel(2+) (CID 162217004) is bis(dihydrogen phosphate);1H-imidazole;nickel(2+).
What is the SMILES notation for bis(dihydrogen phosphate);1H-imidazole;nickel(2+)?
The canonical SMILES for bis(dihydrogen phosphate);1H-imidazole;nickel(2+) is O=P([O-])(O)O.O=P([O-])(O)O.[Ni+2].c1c[nH]cn1.
What is the InChIKey of bis(dihydrogen phosphate);1H-imidazole;nickel(2+)?
The InChIKey is UTGWOCOBQYERKG-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4N2.Ni.2H3O4P/c1-2-5-3-4-1;;2*1-5(2,3)4/h1-3H,(H,4,5);;2*(H3,1,2,3,4)/q;+2;;/p-2.
What are the key properties of bis(dihydrogen phosphate);1H-imidazole;nickel(2+)?
bis(dihydrogen phosphate);1H-imidazole;nickel(2+) has a molecular weight of 320.74 g/mol, XLogP of -2.71, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydrogen phosphate);1H-imidazole;nickel(2+) is sourced from PubChem (CID 162217004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).