dicopper;phosphonato phosphate;trihydrate

H6Cu2O10P2 — CID 91886264

IUPACdicopper;phosphonato phosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.H4O7P2.3H2O/c;;1-8(2,3)7-9(4,5)6;;;/h;;(H2,1,2,3)(H2,4,5,6);3*1H2/q2*+2;;;;/p-4
InChIKeyIMCZVHVSYPQRDR-UHFFFAOYSA-J
MW355.08 g/mol
LogP-5.82
Rot. Bonds2

About dicopper;phosphonato phosphate;trihydrate

dicopper;phosphonato phosphate;trihydrate (PubChem CID 91886264) has the molecular formula H6Cu2O10P2 and a molecular weight of 355.08 g/mol. Its IUPAC name is dicopper;phosphonato phosphate;trihydrate.

Molecular Properties

Compound Namedicopper;phosphonato phosphate;trihydrate
PubChem CID91886264
Molecular FormulaH6Cu2O10P2
Molecular Weight355.08 g/mol
Exact Mass353.80
IUPAC Namedicopper;phosphonato phosphate;trihydrate
SMILESO.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.H4O7P2.3H2O/c;;1-8(2,3)7-9(4,5)6;;;/h;;(H2,1,2,3)(H2,4,5,6);3*1H2/q2*+2;;;;/p-4
InChIKeyIMCZVHVSYPQRDR-UHFFFAOYSA-J
XLogP-5.82
TPSA230.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.08
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

Triphosphoric acid
CID 983
Calcium Dihydrogen Phosphate
CID 24454
Copper(II) pyrophosphate
CID 24940
magnesium phosphate, monobasic, anhydrous
CID 6096959
Tetraphosphoric acid
CID 197147
Monocalcium phosphate monohydrate
CID 10198893
Cupric pyrophosphate monohydrate
CID 16212263
Phosphoric acid, aluminum salt (3:1)
CID 9818426
Barium bis(dihydrogenorthophosphate)
CID 13726205
Zinc dihydrogen phosphate
CID 11253952
Superphosphate
CID 24846366
Phosphoric acid, nickel(2+) salt (2:1)
CID 14367986

Frequently Asked Questions

What is the IUPAC name of dicopper;phosphonato phosphate;trihydrate?
The IUPAC name of dicopper;phosphonato phosphate;trihydrate (CID 91886264) is dicopper;phosphonato phosphate;trihydrate.
What is the SMILES notation for dicopper;phosphonato phosphate;trihydrate?
The canonical SMILES for dicopper;phosphonato phosphate;trihydrate is O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;phosphonato phosphate;trihydrate?
The InChIKey is IMCZVHVSYPQRDR-UHFFFAOYSA-J. The full InChI is InChI=1S/2Cu.H4O7P2.3H2O/c;;1-8(2,3)7-9(4,5)6;;;/h;;(H2,1,2,3)(H2,4,5,6);3*1H2/q2*+2;;;;/p-4.
What are the key properties of dicopper;phosphonato phosphate;trihydrate?
dicopper;phosphonato phosphate;trihydrate has a molecular weight of 355.08 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 dicopper;phosphonato phosphate;trihydrate is sourced from PubChem (CID 91886264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).