azane;carbonic acid;zirconium(4+);dicarbonate

C3H8N2O9Zr — CID 131664318

IUPACazane;carbonic acid;zirconium(4+);dicarbonate
SMILESN.N.O=C(O)O.O=C([O-])[O-].O=C([O-])[O-].[Zr+4]
InChIInChI=1S/3CH2O3.2H3N.Zr/c3*2-1(3)4;;;/h3*(H2,2,3,4);2*1H3;/q;;;;;+4/p-4
InChIKeyPVBGYEYPRBAAIH-UHFFFAOYSA-J
MW307.33 g/mol
LogP-4.35
Rot. Bonds

About azane;carbonic acid;zirconium(4+);dicarbonate

azane;carbonic acid;zirconium(4+);dicarbonate (PubChem CID 131664318) has the molecular formula C3H8N2O9Zr and a molecular weight of 307.33 g/mol. Its IUPAC name is azane;carbonic acid;zirconium(4+);dicarbonate.

Molecular Properties

Compound Nameazane;carbonic acid;zirconium(4+);dicarbonate
PubChem CID131664318
Molecular FormulaC3H8N2O9Zr
Molecular Weight307.33 g/mol
Exact Mass305.93
IUPAC Nameazane;carbonic acid;zirconium(4+);dicarbonate
SMILESN.N.O=C(O)O.O=C([O-])[O-].O=C([O-])[O-].[Zr+4]
InChIInChI=1S/3CH2O3.2H3N.Zr/c3*2-1(3)4;;;/h3*(H2,2,3,4);2*1H3;/q;;;;;+4/p-4
InChIKeyPVBGYEYPRBAAIH-UHFFFAOYSA-J
XLogP-4.35
TPSA253.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 5-4.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

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calcium;carbonic acid;carbonate;hydrate
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Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;zirconium(4+);dicarbonate?
The IUPAC name of azane;carbonic acid;zirconium(4+);dicarbonate (CID 131664318) is azane;carbonic acid;zirconium(4+);dicarbonate.
What is the SMILES notation for azane;carbonic acid;zirconium(4+);dicarbonate?
The canonical SMILES for azane;carbonic acid;zirconium(4+);dicarbonate is N.N.O=C(O)O.O=C([O-])[O-].O=C([O-])[O-].[Zr+4].
What is the InChIKey of azane;carbonic acid;zirconium(4+);dicarbonate?
The InChIKey is PVBGYEYPRBAAIH-UHFFFAOYSA-J. The full InChI is InChI=1S/3CH2O3.2H3N.Zr/c3*2-1(3)4;;;/h3*(H2,2,3,4);2*1H3;/q;;;;;+4/p-4.
What are the key properties of azane;carbonic acid;zirconium(4+);dicarbonate?
azane;carbonic acid;zirconium(4+);dicarbonate has a molecular weight of 307.33 g/mol, XLogP of -4.35, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;zirconium(4+);dicarbonate is sourced from PubChem (CID 131664318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).