copper;phosphoric acid;hydrate

H8Cu3O9P2 — CID 516939

IUPACcopper;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.O=P(O)(O)O.[Cu].[Cu].[Cu]
InChIInChI=1S/3Cu.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2
InChIKeyGLNSZIWQOZKGHK-UHFFFAOYSA-N
MW404.64 g/mol
LogP-2.69
Rot. Bonds

About copper;phosphoric acid;hydrate

copper;phosphoric acid;hydrate (PubChem CID 516939) has the molecular formula H8Cu3O9P2 and a molecular weight of 404.64 g/mol. Its IUPAC name is copper;phosphoric acid;hydrate.

Molecular Properties

Compound Namecopper;phosphoric acid;hydrate
PubChem CID516939
Molecular FormulaH8Cu3O9P2
Molecular Weight404.64 g/mol
Exact Mass402.75
IUPAC Namecopper;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.O=P(O)(O)O.[Cu].[Cu].[Cu]
InChIInChI=1S/3Cu.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2
InChIKeyGLNSZIWQOZKGHK-UHFFFAOYSA-N
XLogP-2.69
TPSA187.02 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 5-2.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;hydrate
CID 22023151
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
CID 173167224
CID 173167224
phosphoric acid;titanium;hydrate
CID 173357749
calcium;phosphoric acid;hydrate
CID 170923527
neodymium;phosphoric acid;hydrate
CID 156593884
phosphane;phosphoric acid;hydrate
CID 157469515
phosphoric acid;zinc;octahydrate
CID 173057080
azane;phosphoric acid;hydrate
CID 173222009
dimagnesium;hydride;phosphoric acid;dodecahydrate
CID 173372641

Frequently Asked Questions

What is the IUPAC name of copper;phosphoric acid;hydrate?
The IUPAC name of copper;phosphoric acid;hydrate (CID 516939) is copper;phosphoric acid;hydrate.
What is the SMILES notation for copper;phosphoric acid;hydrate?
The canonical SMILES for copper;phosphoric acid;hydrate is O.O=P(O)(O)O.O=P(O)(O)O.[Cu].[Cu].[Cu].
What is the InChIKey of copper;phosphoric acid;hydrate?
The InChIKey is GLNSZIWQOZKGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/3Cu.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2.
What are the key properties of copper;phosphoric acid;hydrate?
copper;phosphoric acid;hydrate has a molecular weight of 404.64 g/mol, XLogP of -2.69, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;phosphoric acid;hydrate is sourced from PubChem (CID 516939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).