Alumane;phosphoric acid;zirconium

Name: Alumane;phosphoric acid;zirconium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

H₉AlO₈P₂Zr — CID 174457878

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Alumane;phosphoric acid;zirconium
PubChem CID	174457878
Molecular Formula	H₉AlO₈P₂Zr
Molecular Weight	317.22 g/mol
Exact Mass	315.86
IUPAC Name	alumane;phosphoric acid;zirconium
SMILES	O=P(O)(O)O.O=P(O)(O)O.[AlH3].[Zr]
InChI	InChI=1S/Al.2H3O4P.Zr.3H/c;21-5(2,3)4;;;;/h;2(H3,1,2,3,4);;;;
InChIKey	VFWGWWNGKAEXSU-UHFFFAOYSA-N
XLogP	-3.04
TPSA	155.52 Å²
H-Bond Donors	6
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	317.22
LogP ≤ 5	-3.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 174457878 — identifiers, structure, computed properties (public domain)

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