dicopper;phosphonato phosphate;tetrahydrate

H8Cu2O11P2 — CID 91886265

IUPACdicopper;phosphonato phosphate;tetrahydrate
SMILESO.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.H4O7P2.4H2O/c;;1-8(2,3)7-9(4,5)6;;;;/h;;(H2,1,2,3)(H2,4,5,6);4*1H2/q2*+2;;;;;/p-4
InChIKeyZAOPXNMWVKDINS-UHFFFAOYSA-J
MW373.09 g/mol
LogP-6.64
Rot. Bonds2

About dicopper;phosphonato phosphate;tetrahydrate

dicopper;phosphonato phosphate;tetrahydrate (PubChem CID 91886265) has the molecular formula H8Cu2O11P2 and a molecular weight of 373.09 g/mol. Its IUPAC name is dicopper;phosphonato phosphate;tetrahydrate.

Molecular Properties

Compound Namedicopper;phosphonato phosphate;tetrahydrate
PubChem CID91886265
Molecular FormulaH8Cu2O11P2
Molecular Weight373.09 g/mol
Exact Mass371.81
IUPAC Namedicopper;phosphonato phosphate;tetrahydrate
SMILESO.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.H4O7P2.4H2O/c;;1-8(2,3)7-9(4,5)6;;;;/h;;(H2,1,2,3)(H2,4,5,6);4*1H2/q2*+2;;;;;/p-4
InChIKeyZAOPXNMWVKDINS-UHFFFAOYSA-J
XLogP-6.64
TPSA261.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 5-6.64
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
Copper(II) pyrophosphate
CID 24940
Magnesium phosphate (USP)
CID 23724945
Cupric pyrophosphate monohydrate
CID 16212263
Phosphoric acid, zinc salt (2:3), tetrahydrate
CID 19973792
Cupric phosphate trihydrate
CID 71586933
Triphosphate(1-)
CID 23657868
Dichromium tris(hydrogen phosphate)
CID 173671
Phosphate, dihydrogen, phosphate (1:1)
CID 5289183
Vivianite
CID 73357782
Magnesium hypophosphite 6-hydrate
CID 21694861
Copperpyrophosphate
CID 161024566

Frequently Asked Questions

What is the IUPAC name of dicopper;phosphonato phosphate;tetrahydrate?
The IUPAC name of dicopper;phosphonato phosphate;tetrahydrate (CID 91886265) is dicopper;phosphonato phosphate;tetrahydrate.
What is the SMILES notation for dicopper;phosphonato phosphate;tetrahydrate?
The canonical SMILES for dicopper;phosphonato phosphate;tetrahydrate is O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;phosphonato phosphate;tetrahydrate?
The InChIKey is ZAOPXNMWVKDINS-UHFFFAOYSA-J. The full InChI is InChI=1S/2Cu.H4O7P2.4H2O/c;;1-8(2,3)7-9(4,5)6;;;;/h;;(H2,1,2,3)(H2,4,5,6);4*1H2/q2*+2;;;;;/p-4.
What are the key properties of dicopper;phosphonato phosphate;tetrahydrate?
dicopper;phosphonato phosphate;tetrahydrate has a molecular weight of 373.09 g/mol, XLogP of -6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;phosphonato phosphate;tetrahydrate is sourced from PubChem (CID 91886265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).