copper;disodium;phosphonato phosphate

CuNa2O7P2 — CID 173106560

IUPACcopper;disodium;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Na+].[Na+]
InChIInChI=1S/Cu.2Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q+2;2*+1;/p-4
InChIKeyBMRAJVKQSIZLJD-UHFFFAOYSA-J
MW283.47 g/mol
LogP-9.33
Rot. Bonds2

About copper;disodium;phosphonato phosphate

copper;disodium;phosphonato phosphate (PubChem CID 173106560) has the molecular formula CuNa2O7P2 and a molecular weight of 283.47 g/mol. Its IUPAC name is copper;disodium;phosphonato phosphate.

Molecular Properties

Compound Namecopper;disodium;phosphonato phosphate
PubChem CID173106560
Molecular FormulaCuNa2O7P2
Molecular Weight283.47 g/mol
Exact Mass282.82
IUPAC Namecopper;disodium;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Na+].[Na+]
InChIInChI=1S/Cu.2Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q+2;2*+1;/p-4
InChIKeyBMRAJVKQSIZLJD-UHFFFAOYSA-J
XLogP-9.33
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 5-9.33
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

phosphonato phosphate
CID 644102
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;decahydrate
CID 22385493
phosphonato phosphate;bis(titanium(4+))
CID 158284224
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
mercury;phosphonato phosphate
CID 157352193
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
zinc;manganese(2+);phosphonato phosphate
CID 175473755

Frequently Asked Questions

What is the IUPAC name of copper;disodium;phosphonato phosphate?
The IUPAC name of copper;disodium;phosphonato phosphate (CID 173106560) is copper;disodium;phosphonato phosphate.
What is the SMILES notation for copper;disodium;phosphonato phosphate?
The canonical SMILES for copper;disodium;phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Na+].[Na+].
What is the InChIKey of copper;disodium;phosphonato phosphate?
The InChIKey is BMRAJVKQSIZLJD-UHFFFAOYSA-J. The full InChI is InChI=1S/Cu.2Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q+2;2*+1;/p-4.
What are the key properties of copper;disodium;phosphonato phosphate?
copper;disodium;phosphonato phosphate has a molecular weight of 283.47 g/mol, XLogP of -9.33, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;disodium;phosphonato phosphate is sourced from PubChem (CID 173106560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).