alumane;phosphoric acid;zirconium

H9AlO8P2Zr — CID 174457878

IUPACalumane;phosphoric acid;zirconium
SMILESO=P(O)(O)O.O=P(O)(O)O.[AlH3].[Zr]
InChIInChI=1S/Al.2H3O4P.Zr.3H/c;2*1-5(2,3)4;;;;/h;2*(H3,1,2,3,4);;;;
InChIKeyVFWGWWNGKAEXSU-UHFFFAOYSA-N
MW317.22 g/mol
LogP-3.04
Rot. Bonds

About alumane;phosphoric acid;zirconium

alumane;phosphoric acid;zirconium (PubChem CID 174457878) has the molecular formula H9AlO8P2Zr and a molecular weight of 317.22 g/mol. Its IUPAC name is alumane;phosphoric acid;zirconium.

Molecular Properties

Compound Namealumane;phosphoric acid;zirconium
PubChem CID174457878
Molecular FormulaH9AlO8P2Zr
Molecular Weight317.22 g/mol
Exact Mass315.86
IUPAC Namealumane;phosphoric acid;zirconium
SMILESO=P(O)(O)O.O=P(O)(O)O.[AlH3].[Zr]
InChIInChI=1S/Al.2H3O4P.Zr.3H/c;2*1-5(2,3)4;;;;/h;2*(H3,1,2,3,4);;;;
InChIKeyVFWGWWNGKAEXSU-UHFFFAOYSA-N
XLogP-3.04
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 5-3.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;phosphoric acid;zirconium?
The IUPAC name of alumane;phosphoric acid;zirconium (CID 174457878) is alumane;phosphoric acid;zirconium.
What is the SMILES notation for alumane;phosphoric acid;zirconium?
The canonical SMILES for alumane;phosphoric acid;zirconium is O=P(O)(O)O.O=P(O)(O)O.[AlH3].[Zr].
What is the InChIKey of alumane;phosphoric acid;zirconium?
The InChIKey is VFWGWWNGKAEXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.2H3O4P.Zr.3H/c;2*1-5(2,3)4;;;;/h;2*(H3,1,2,3,4);;;;.
What are the key properties of alumane;phosphoric acid;zirconium?
alumane;phosphoric acid;zirconium has a molecular weight of 317.22 g/mol, XLogP of -3.04, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;phosphoric acid;zirconium is sourced from PubChem (CID 174457878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).