copper [hydroxy(oxido)phosphoryl] hydrogen phosphate

H2CuO7P2 — CID 138394178

IUPACcopper [hydroxy(oxido)phosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)([O-])O.[Cu+2]
InChIInChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2
InChIKeyLCSAYGBGVLEKPO-UHFFFAOYSA-L
MW239.50 g/mol
LogP-2.08
Rot. Bonds2

About copper [hydroxy(oxido)phosphoryl] hydrogen phosphate

copper [hydroxy(oxido)phosphoryl] hydrogen phosphate (PubChem CID 138394178) has the molecular formula H2CuO7P2 and a molecular weight of 239.50 g/mol. Its IUPAC name is copper [hydroxy(oxido)phosphoryl] hydrogen phosphate.

Molecular Properties

Compound Namecopper [hydroxy(oxido)phosphoryl] hydrogen phosphate
PubChem CID138394178
Molecular FormulaH2CuO7P2
Molecular Weight239.50 g/mol
Exact Mass238.86
IUPAC Namecopper [hydroxy(oxido)phosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)([O-])O.[Cu+2]
InChIInChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2
InChIKeyLCSAYGBGVLEKPO-UHFFFAOYSA-L
XLogP-2.08
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.50
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
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 copper [hydroxy(oxido)phosphoryl] hydrogen phosphate?
The IUPAC name of copper [hydroxy(oxido)phosphoryl] hydrogen phosphate (CID 138394178) is copper [hydroxy(oxido)phosphoryl] hydrogen phosphate.
What is the SMILES notation for copper [hydroxy(oxido)phosphoryl] hydrogen phosphate?
The canonical SMILES for copper [hydroxy(oxido)phosphoryl] hydrogen phosphate is O=P([O-])(O)OP(=O)([O-])O.[Cu+2].
What is the InChIKey of copper [hydroxy(oxido)phosphoryl] hydrogen phosphate?
The InChIKey is LCSAYGBGVLEKPO-UHFFFAOYSA-L. The full InChI is InChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2.
What are the key properties of copper [hydroxy(oxido)phosphoryl] hydrogen phosphate?
copper [hydroxy(oxido)phosphoryl] hydrogen phosphate has a molecular weight of 239.50 g/mol, XLogP of -2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper [hydroxy(oxido)phosphoryl] hydrogen phosphate is sourced from PubChem (CID 138394178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).