copper;phosphono hydrogen phosphate;chloride

H3ClCuO7P2 — CID 175231033

IUPACcopper;phosphono hydrogen phosphate;chloride
SMILESO=P([O-])(O)OP(=O)(O)O.[Cl-].[Cu+2]
InChIInChI=1S/ClH.Cu.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h1H;;(H2,1,2,3)(H2,4,5,6)/q;+2;/p-2
InChIKeyFMWXOTNOVBRGDO-UHFFFAOYSA-L
MW275.96 g/mol
LogP-4.44
Rot. Bonds2

About copper;phosphono hydrogen phosphate;chloride

copper;phosphono hydrogen phosphate;chloride (PubChem CID 175231033) has the molecular formula H3ClCuO7P2 and a molecular weight of 275.96 g/mol. Its IUPAC name is copper;phosphono hydrogen phosphate;chloride.

Molecular Properties

Compound Namecopper;phosphono hydrogen phosphate;chloride
PubChem CID175231033
Molecular FormulaH3ClCuO7P2
Molecular Weight275.96 g/mol
Exact Mass274.83
IUPAC Namecopper;phosphono hydrogen phosphate;chloride
SMILESO=P([O-])(O)OP(=O)(O)O.[Cl-].[Cu+2]
InChIInChI=1S/ClH.Cu.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h1H;;(H2,1,2,3)(H2,4,5,6)/q;+2;/p-2
InChIKeyFMWXOTNOVBRGDO-UHFFFAOYSA-L
XLogP-4.44
TPSA127.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.96
LogP ≤ 5-4.44
H-Bond Donors ≤ 53
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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potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
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chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
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potassium;sodium;phosphono hydrogen phosphate;acetate
CID 141113302
phosphono phosphate
CID 57345951
potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide
CID 172800352
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843
manganese(2+);phosphono phosphate
CID 138395841
trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
CID 158298234
disodium;phosphono dihydrogen phosphate;phosphono phosphate
CID 173430814
copper;phosphono phosphate;sulfuric acid
CID 175344520

Frequently Asked Questions

What is the IUPAC name of copper;phosphono hydrogen phosphate;chloride?
The IUPAC name of copper;phosphono hydrogen phosphate;chloride (CID 175231033) is copper;phosphono hydrogen phosphate;chloride.
What is the SMILES notation for copper;phosphono hydrogen phosphate;chloride?
The canonical SMILES for copper;phosphono hydrogen phosphate;chloride is O=P([O-])(O)OP(=O)(O)O.[Cl-].[Cu+2].
What is the InChIKey of copper;phosphono hydrogen phosphate;chloride?
The InChIKey is FMWXOTNOVBRGDO-UHFFFAOYSA-L. The full InChI is InChI=1S/ClH.Cu.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h1H;;(H2,1,2,3)(H2,4,5,6)/q;+2;/p-2.
What are the key properties of copper;phosphono hydrogen phosphate;chloride?
copper;phosphono hydrogen phosphate;chloride has a molecular weight of 275.96 g/mol, XLogP of -4.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;phosphono hydrogen phosphate;chloride is sourced from PubChem (CID 175231033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).