dicopper;phosphonato phosphate;dihydrate

H4Cu2O9P2 — CID 119026003

IUPACdicopper;phosphonato phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.H4O7P2.2H2O/c;;1-8(2,3)7-9(4,5)6;;/h;;(H2,1,2,3)(H2,4,5,6);2*1H2/q2*+2;;;/p-4
InChIKeyDAIAURVRGSWMOG-UHFFFAOYSA-J
MW337.06 g/mol
LogP-4.99
Rot. Bonds2

About dicopper;phosphonato phosphate;dihydrate

dicopper;phosphonato phosphate;dihydrate (PubChem CID 119026003) has the molecular formula H4Cu2O9P2 and a molecular weight of 337.06 g/mol. Its IUPAC name is dicopper;phosphonato phosphate;dihydrate.

Molecular Properties

Compound Namedicopper;phosphonato phosphate;dihydrate
PubChem CID119026003
Molecular FormulaH4Cu2O9P2
Molecular Weight337.06 g/mol
Exact Mass335.79
IUPAC Namedicopper;phosphonato phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.H4O7P2.2H2O/c;;1-8(2,3)7-9(4,5)6;;/h;;(H2,1,2,3)(H2,4,5,6);2*1H2/q2*+2;;;/p-4
InChIKeyDAIAURVRGSWMOG-UHFFFAOYSA-J
XLogP-4.99
TPSA198.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 5-4.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicopper;phosphonato phosphate;dihydrate?
The IUPAC name of dicopper;phosphonato phosphate;dihydrate (CID 119026003) is dicopper;phosphonato phosphate;dihydrate.
What is the SMILES notation for dicopper;phosphonato phosphate;dihydrate?
The canonical SMILES for dicopper;phosphonato phosphate;dihydrate is O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;phosphonato phosphate;dihydrate?
The InChIKey is DAIAURVRGSWMOG-UHFFFAOYSA-J. The full InChI is InChI=1S/2Cu.H4O7P2.2H2O/c;;1-8(2,3)7-9(4,5)6;;/h;;(H2,1,2,3)(H2,4,5,6);2*1H2/q2*+2;;;/p-4.
What are the key properties of dicopper;phosphonato phosphate;dihydrate?
dicopper;phosphonato phosphate;dihydrate has a molecular weight of 337.06 g/mol, XLogP of -4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;phosphonato phosphate;dihydrate is sourced from PubChem (CID 119026003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).