pentacopper;bis(oxygen(2-));diphosphate

Cu5O10P2 — CID 173096360

IUPACpentacopper;bis(oxygen(2-));diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-2].[O-2]
InChIInChI=1S/5Cu.2H3O4P.2O/c;;;;;2*1-5(2,3)4;;/h;;;;;2*(H3,1,2,3,4);;/q5*+2;;;2*-2/p-6
InChIKeyVANHXWIWFKYLQY-UHFFFAOYSA-H
MW539.67 g/mol
LogP-5.90
Rot. Bonds

About pentacopper;bis(oxygen(2-));diphosphate

pentacopper;bis(oxygen(2-));diphosphate (PubChem CID 173096360) has the molecular formula Cu5O10P2 and a molecular weight of 539.67 g/mol. Its IUPAC name is pentacopper;bis(oxygen(2-));diphosphate.

Molecular Properties

Compound Namepentacopper;bis(oxygen(2-));diphosphate
PubChem CID173096360
Molecular FormulaCu5O10P2
Molecular Weight539.67 g/mol
Exact Mass536.54
IUPAC Namepentacopper;bis(oxygen(2-));diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-2].[O-2]
InChIInChI=1S/5Cu.2H3O4P.2O/c;;;;;2*1-5(2,3)4;;/h;;;;;2*(H3,1,2,3,4);;/q5*+2;;;2*-2/p-6
InChIKeyVANHXWIWFKYLQY-UHFFFAOYSA-H
XLogP-5.90
TPSA229.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.67
LogP ≤ 5-5.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

oxygen(2-);vanadium;phosphate
CID 10313253
copper;zinc;cadmium(2+);diphosphate
CID 159305058
copper;sodium;zirconium;phosphate
CID 175582678
dialuminum;magnesium;bis(oxygen(2-));phosphate
CID 172798844
pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate
CID 173092768
zirconium diphosphate
CID 3014757
heptasodium;phosphate
CID 159686031
bis(nickel(2+));hydroxide;phosphate
CID 11665794
phosphate octahydrate
CID 22485829
CID 23618823
CID 23618823
methane phosphate
CID 22352647
dipotassium diphosphate
CID 18612384

Frequently Asked Questions

What is the IUPAC name of pentacopper;bis(oxygen(2-));diphosphate?
The IUPAC name of pentacopper;bis(oxygen(2-));diphosphate (CID 173096360) is pentacopper;bis(oxygen(2-));diphosphate.
What is the SMILES notation for pentacopper;bis(oxygen(2-));diphosphate?
The canonical SMILES for pentacopper;bis(oxygen(2-));diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-2].[O-2].
What is the InChIKey of pentacopper;bis(oxygen(2-));diphosphate?
The InChIKey is VANHXWIWFKYLQY-UHFFFAOYSA-H. The full InChI is InChI=1S/5Cu.2H3O4P.2O/c;;;;;2*1-5(2,3)4;;/h;;;;;2*(H3,1,2,3,4);;/q5*+2;;;2*-2/p-6.
What are the key properties of pentacopper;bis(oxygen(2-));diphosphate?
pentacopper;bis(oxygen(2-));diphosphate has a molecular weight of 539.67 g/mol, XLogP of -5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentacopper;bis(oxygen(2-));diphosphate is sourced from PubChem (CID 173096360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).