phosphoric acid;zirconium(4+);dicarbonate

C2H3O10PZr — CID 174847896

IUPACphosphoric acid;zirconium(4+);dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=P(O)(O)O.[Zr+4]
InChIInChI=1S/2CH2O3.H3O4P.Zr/c2*2-1(3)4;1-5(2,3)4;/h2*(H2,2,3,4);(H3,1,2,3,4);/q;;;+4/p-4
InChIKeyNUGCNWFEFUTRBS-UHFFFAOYSA-J
MW309.23 g/mol
LogP-5.83
Rot. Bonds

About phosphoric acid;zirconium(4+);dicarbonate

phosphoric acid;zirconium(4+);dicarbonate (PubChem CID 174847896) has the molecular formula C2H3O10PZr and a molecular weight of 309.23 g/mol. Its IUPAC name is phosphoric acid;zirconium(4+);dicarbonate.

Molecular Properties

Compound Namephosphoric acid;zirconium(4+);dicarbonate
PubChem CID174847896
Molecular FormulaC2H3O10PZr
Molecular Weight309.23 g/mol
Exact Mass307.85
IUPAC Namephosphoric acid;zirconium(4+);dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=P(O)(O)O.[Zr+4]
InChIInChI=1S/2CH2O3.H3O4P.Zr/c2*2-1(3)4;1-5(2,3)4;/h2*(H2,2,3,4);(H3,1,2,3,4);/q;;;+4/p-4
InChIKeyNUGCNWFEFUTRBS-UHFFFAOYSA-J
XLogP-5.83
TPSA204.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 5-5.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 142022309
calcium;sodium;dihydrogen phosphate;carbonate
CID 142655218
tris(platinum(2+));dicarbonate;dihydroxide
CID 173036654
bis(cerium(3+));bis(zirconium(4+));heptacarbonate
CID 173258228
azane;platinum(2+);carbonate
CID 22123677
trisodium;zirconium(4+);carbonate
CID 160948124
tin(4+);zirconium(4+);tetracarbonate
CID 158044401
pentapotassium;carbonate;phosphate
CID 173178340
magnesium;carbonate;phosphate
CID 19104532
potassium;azane;phosphoric acid;acetate
CID 175960503

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;zirconium(4+);dicarbonate?
The IUPAC name of phosphoric acid;zirconium(4+);dicarbonate (CID 174847896) is phosphoric acid;zirconium(4+);dicarbonate.
What is the SMILES notation for phosphoric acid;zirconium(4+);dicarbonate?
The canonical SMILES for phosphoric acid;zirconium(4+);dicarbonate is O=C([O-])[O-].O=C([O-])[O-].O=P(O)(O)O.[Zr+4].
What is the InChIKey of phosphoric acid;zirconium(4+);dicarbonate?
The InChIKey is NUGCNWFEFUTRBS-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH2O3.H3O4P.Zr/c2*2-1(3)4;1-5(2,3)4;/h2*(H2,2,3,4);(H3,1,2,3,4);/q;;;+4/p-4.
What are the key properties of phosphoric acid;zirconium(4+);dicarbonate?
phosphoric acid;zirconium(4+);dicarbonate has a molecular weight of 309.23 g/mol, XLogP of -5.83, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;zirconium(4+);dicarbonate is sourced from PubChem (CID 174847896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).