copper;phosphono dihydrogen phosphate

H4CuO7P2 — CID 161024566

IUPACcopper;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Cu]
InChIInChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
InChIKeyTYUTWTNPBFAGTL-UHFFFAOYSA-N
MW241.52 g/mol
LogP-0.81
Rot. Bonds2

About copper;phosphono dihydrogen phosphate

copper;phosphono dihydrogen phosphate (PubChem CID 161024566) has the molecular formula H4CuO7P2 and a molecular weight of 241.52 g/mol. Its IUPAC name is copper;phosphono dihydrogen phosphate.

Molecular Properties

Compound Namecopper;phosphono dihydrogen phosphate
PubChem CID161024566
Molecular FormulaH4CuO7P2
Molecular Weight241.52 g/mol
Exact Mass240.87
IUPAC Namecopper;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Cu]
InChIInChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
InChIKeyTYUTWTNPBFAGTL-UHFFFAOYSA-N
XLogP-0.81
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.52
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;phosphono dihydrogen phosphate?
The IUPAC name of copper;phosphono dihydrogen phosphate (CID 161024566) is copper;phosphono dihydrogen phosphate.
What is the SMILES notation for copper;phosphono dihydrogen phosphate?
The canonical SMILES for copper;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.[Cu].
What is the InChIKey of copper;phosphono dihydrogen phosphate?
The InChIKey is TYUTWTNPBFAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6).
What are the key properties of copper;phosphono dihydrogen phosphate?
copper;phosphono dihydrogen phosphate has a molecular weight of 241.52 g/mol, XLogP of -0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;phosphono dihydrogen phosphate is sourced from PubChem (CID 161024566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).