tricopper;diphosphate;trihydrate

H6Cu3O11P2 — CID 71586933

IUPACtricopper;diphosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/3Cu.2H3O4P.3H2O/c;;;2*1-5(2,3)4;;;/h;;;2*(H3,1,2,3,4);3*1H2/q3*+2;;;;;/p-6
InChIKeyIVAIWXUKIPQQPY-UHFFFAOYSA-H
MW434.62 g/mol
LogP-8.13
Rot. Bonds

About tricopper;diphosphate;trihydrate

tricopper;diphosphate;trihydrate (PubChem CID 71586933) has the molecular formula H6Cu3O11P2 and a molecular weight of 434.62 g/mol. Its IUPAC name is tricopper;diphosphate;trihydrate.

Molecular Properties

Compound Nametricopper;diphosphate;trihydrate
PubChem CID71586933
Molecular FormulaH6Cu3O11P2
Molecular Weight434.62 g/mol
Exact Mass432.73
IUPAC Nametricopper;diphosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/3Cu.2H3O4P.3H2O/c;;;2*1-5(2,3)4;;;/h;;;2*(H3,1,2,3,4);3*1H2/q3*+2;;;;;/p-6
InChIKeyIVAIWXUKIPQQPY-UHFFFAOYSA-H
XLogP-8.13
TPSA267.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.62
LogP ≤ 5-8.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricopper;diphosphate;trihydrate?
The IUPAC name of tricopper;diphosphate;trihydrate (CID 71586933) is tricopper;diphosphate;trihydrate.
What is the SMILES notation for tricopper;diphosphate;trihydrate?
The canonical SMILES for tricopper;diphosphate;trihydrate is O.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tricopper;diphosphate;trihydrate?
The InChIKey is IVAIWXUKIPQQPY-UHFFFAOYSA-H. The full InChI is InChI=1S/3Cu.2H3O4P.3H2O/c;;;2*1-5(2,3)4;;;/h;;;2*(H3,1,2,3,4);3*1H2/q3*+2;;;;;/p-6.
What are the key properties of tricopper;diphosphate;trihydrate?
tricopper;diphosphate;trihydrate has a molecular weight of 434.62 g/mol, XLogP of -8.13, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;diphosphate;trihydrate is sourced from PubChem (CID 71586933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).