magnesium;nickel(2+);phosphonato phosphate

MgNiO7P2 — CID 159595999

IUPACmagnesium;nickel(2+);phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Mg+2].[Ni+2]
InChIInChI=1S/Mg.Ni.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
InChIKeyMKVSBCSXACSNRF-UHFFFAOYSA-J
MW256.94 g/mol
LogP-3.72
Rot. Bonds2

About magnesium;nickel(2+);phosphonato phosphate

magnesium;nickel(2+);phosphonato phosphate (PubChem CID 159595999) has the molecular formula MgNiO7P2 and a molecular weight of 256.94 g/mol. Its IUPAC name is magnesium;nickel(2+);phosphonato phosphate.

Molecular Properties

Compound Namemagnesium;nickel(2+);phosphonato phosphate
PubChem CID159595999
Molecular FormulaMgNiO7P2
Molecular Weight256.94 g/mol
Exact Mass255.83
IUPAC Namemagnesium;nickel(2+);phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Mg+2].[Ni+2]
InChIInChI=1S/Mg.Ni.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
InChIKeyMKVSBCSXACSNRF-UHFFFAOYSA-J
XLogP-3.72
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.94
LogP ≤ 5-3.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

pentasodium;phosphonato phosphate;hydroxide
CID 158792062
phosphonato phosphate
CID 644102
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
copper;disodium;phosphonato phosphate
CID 173106560

Frequently Asked Questions

What is the IUPAC name of magnesium;nickel(2+);phosphonato phosphate?
The IUPAC name of magnesium;nickel(2+);phosphonato phosphate (CID 159595999) is magnesium;nickel(2+);phosphonato phosphate.
What is the SMILES notation for magnesium;nickel(2+);phosphonato phosphate?
The canonical SMILES for magnesium;nickel(2+);phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].[Mg+2].[Ni+2].
What is the InChIKey of magnesium;nickel(2+);phosphonato phosphate?
The InChIKey is MKVSBCSXACSNRF-UHFFFAOYSA-J. The full InChI is InChI=1S/Mg.Ni.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4.
What are the key properties of magnesium;nickel(2+);phosphonato phosphate?
magnesium;nickel(2+);phosphonato phosphate has a molecular weight of 256.94 g/mol, XLogP of -3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;nickel(2+);phosphonato phosphate is sourced from PubChem (CID 159595999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).