copper;phosphono dihydrogen phosphate;phosphoric acid

H7CuO11P3 — CID 173436835

IUPACcopper;phosphono dihydrogen phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)OP(=O)(O)O.[Cu]
InChIInChI=1S/Cu.H4O7P2.H3O4P/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)
InChIKeySJFITURGWVFEDQ-UHFFFAOYSA-N
MW339.51 g/mol
LogP-1.74
Rot. Bonds2

About copper;phosphono dihydrogen phosphate;phosphoric acid

copper;phosphono dihydrogen phosphate;phosphoric acid (PubChem CID 173436835) has the molecular formula H7CuO11P3 and a molecular weight of 339.51 g/mol. Its IUPAC name is copper;phosphono dihydrogen phosphate;phosphoric acid.

Molecular Properties

Compound Namecopper;phosphono dihydrogen phosphate;phosphoric acid
PubChem CID173436835
Molecular FormulaH7CuO11P3
Molecular Weight339.51 g/mol
Exact Mass338.85
IUPAC Namecopper;phosphono dihydrogen phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)OP(=O)(O)O.[Cu]
InChIInChI=1S/Cu.H4O7P2.H3O4P/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)
InChIKeySJFITURGWVFEDQ-UHFFFAOYSA-N
XLogP-1.74
TPSA202.05 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 5-1.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174967015
magnesium;copper;hydride;phosphono dihydrogen phosphate
CID 174923611
hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
magnesium pyrophosphate hydrate
CID 176515646
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
alumane;phosphono dihydrogen phosphate;zinc
CID 174869151
pentasodium;hydride;phosphono dihydrogen phosphate;hydrofluoride
CID 173313092

Frequently Asked Questions

What is the IUPAC name of copper;phosphono dihydrogen phosphate;phosphoric acid?
The IUPAC name of copper;phosphono dihydrogen phosphate;phosphoric acid (CID 173436835) is copper;phosphono dihydrogen phosphate;phosphoric acid.
What is the SMILES notation for copper;phosphono dihydrogen phosphate;phosphoric acid?
The canonical SMILES for copper;phosphono dihydrogen phosphate;phosphoric acid is O=P(O)(O)O.O=P(O)(O)OP(=O)(O)O.[Cu].
What is the InChIKey of copper;phosphono dihydrogen phosphate;phosphoric acid?
The InChIKey is SJFITURGWVFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.H4O7P2.H3O4P/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4).
What are the key properties of copper;phosphono dihydrogen phosphate;phosphoric acid?
copper;phosphono dihydrogen phosphate;phosphoric acid has a molecular weight of 339.51 g/mol, XLogP of -1.74, 2 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;phosphono dihydrogen phosphate;phosphoric acid is sourced from PubChem (CID 173436835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).