copper(1+);phosphonato phosphate;trihydrate

H6CuO10P2-3 — CID 18328454

IUPACcopper(1+);phosphonato phosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+]
InChIInChI=1S/Cu.H4O7P2.3H2O/c;1-8(2,3)7-9(4,5)6;;;/h;(H2,1,2,3)(H2,4,5,6);3*1H2/q+1;;;;/p-4
InChIKeyFOTCAIOJIBNXGM-UHFFFAOYSA-J
MW291.53 g/mol
LogP-5.82
Rot. Bonds2

About copper(1+);phosphonato phosphate;trihydrate

copper(1+);phosphonato phosphate;trihydrate (PubChem CID 18328454) has the molecular formula H6CuO10P2-3 and a molecular weight of 291.53 g/mol. Its IUPAC name is copper(1+);phosphonato phosphate;trihydrate.

Molecular Properties

Compound Namecopper(1+);phosphonato phosphate;trihydrate
PubChem CID18328454
Molecular FormulaH6CuO10P2-3
Molecular Weight291.53 g/mol
Exact Mass290.87
IUPAC Namecopper(1+);phosphonato phosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+]
InChIInChI=1S/Cu.H4O7P2.3H2O/c;1-8(2,3)7-9(4,5)6;;;/h;(H2,1,2,3)(H2,4,5,6);3*1H2/q+1;;;;/p-4
InChIKeyFOTCAIOJIBNXGM-UHFFFAOYSA-J
XLogP-5.82
TPSA230.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 5-5.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate;decahydrate
CID 22385493
phosphonato phosphate;bis(tin(2+));hydrate
CID 91886673
dizinc;phosphonato phosphate;dihydrate
CID 173452839
phosphonato phosphate
CID 644102
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
phosphonato phosphate;bis(titanium(4+))
CID 158284224
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
sodium;chromium(3+);phosphonato phosphate
CID 159071425

Frequently Asked Questions

What is the IUPAC name of copper(1+);phosphonato phosphate;trihydrate?
The IUPAC name of copper(1+);phosphonato phosphate;trihydrate (CID 18328454) is copper(1+);phosphonato phosphate;trihydrate.
What is the SMILES notation for copper(1+);phosphonato phosphate;trihydrate?
The canonical SMILES for copper(1+);phosphonato phosphate;trihydrate is O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+].
What is the InChIKey of copper(1+);phosphonato phosphate;trihydrate?
The InChIKey is FOTCAIOJIBNXGM-UHFFFAOYSA-J. The full InChI is InChI=1S/Cu.H4O7P2.3H2O/c;1-8(2,3)7-9(4,5)6;;;/h;(H2,1,2,3)(H2,4,5,6);3*1H2/q+1;;;;/p-4.
What are the key properties of copper(1+);phosphonato phosphate;trihydrate?
copper(1+);phosphonato phosphate;trihydrate has a molecular weight of 291.53 g/mol, XLogP of -5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);phosphonato phosphate;trihydrate is sourced from PubChem (CID 18328454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).