calcium;dihydrogen phosphate;nickel(2+);phosphate

H2CaNiO8P2 — CID 157380067

IUPACcalcium;dihydrogen phosphate;nickel(2+);phosphate
SMILESO=P([O-])(O)O.O=P([O-])([O-])[O-].[Ca+2].[Ni+2]
InChIInChI=1S/Ca.Ni.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-4
InChIKeyBKTVBLFVOAVRQT-UHFFFAOYSA-J
MW290.73 g/mol
LogP-4.77
Rot. Bonds

About calcium;dihydrogen phosphate;nickel(2+);phosphate

calcium;dihydrogen phosphate;nickel(2+);phosphate (PubChem CID 157380067) has the molecular formula H2CaNiO8P2 and a molecular weight of 290.73 g/mol. Its IUPAC name is calcium;dihydrogen phosphate;nickel(2+);phosphate.

Molecular Properties

Compound Namecalcium;dihydrogen phosphate;nickel(2+);phosphate
PubChem CID157380067
Molecular FormulaH2CaNiO8P2
Molecular Weight290.73 g/mol
Exact Mass289.82
IUPAC Namecalcium;dihydrogen phosphate;nickel(2+);phosphate
SMILESO=P([O-])(O)O.O=P([O-])([O-])[O-].[Ca+2].[Ni+2]
InChIInChI=1S/Ca.Ni.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-4
InChIKeyBKTVBLFVOAVRQT-UHFFFAOYSA-J
XLogP-4.77
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 5-4.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;dihydrogen phosphate;nickel(2+);phosphate?
The IUPAC name of calcium;dihydrogen phosphate;nickel(2+);phosphate (CID 157380067) is calcium;dihydrogen phosphate;nickel(2+);phosphate.
What is the SMILES notation for calcium;dihydrogen phosphate;nickel(2+);phosphate?
The canonical SMILES for calcium;dihydrogen phosphate;nickel(2+);phosphate is O=P([O-])(O)O.O=P([O-])([O-])[O-].[Ca+2].[Ni+2].
What is the InChIKey of calcium;dihydrogen phosphate;nickel(2+);phosphate?
The InChIKey is BKTVBLFVOAVRQT-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.Ni.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-4.
What are the key properties of calcium;dihydrogen phosphate;nickel(2+);phosphate?
calcium;dihydrogen phosphate;nickel(2+);phosphate has a molecular weight of 290.73 g/mol, XLogP of -4.77, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dihydrogen phosphate;nickel(2+);phosphate is sourced from PubChem (CID 157380067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).