aluminum;trisodium;diphosphate

AlNa3O8P2 — CID 6453224

IUPACaluminum;trisodium;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Na+].[Na+].[Na+]
InChIInChI=1S/Al.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6
InChIKeyZQKXOSJYJMDROL-UHFFFAOYSA-H
MW285.89 g/mol
LogP-15.02
Rot. Bonds

About aluminum;trisodium;diphosphate

aluminum;trisodium;diphosphate (PubChem CID 6453224) has the molecular formula AlNa3O8P2 and a molecular weight of 285.89 g/mol. Its IUPAC name is aluminum;trisodium;diphosphate.

Molecular Properties

Compound Namealuminum;trisodium;diphosphate
PubChem CID6453224
Molecular FormulaAlNa3O8P2
Molecular Weight285.89 g/mol
Exact Mass285.86
IUPAC Namealuminum;trisodium;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Na+].[Na+].[Na+]
InChIInChI=1S/Al.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6
InChIKeyZQKXOSJYJMDROL-UHFFFAOYSA-H
XLogP-15.02
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.89
LogP ≤ 5-15.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;trisodium;diphosphate?
The IUPAC name of aluminum;trisodium;diphosphate (CID 6453224) is aluminum;trisodium;diphosphate.
What is the SMILES notation for aluminum;trisodium;diphosphate?
The canonical SMILES for aluminum;trisodium;diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Na+].[Na+].[Na+].
What is the InChIKey of aluminum;trisodium;diphosphate?
The InChIKey is ZQKXOSJYJMDROL-UHFFFAOYSA-H. The full InChI is InChI=1S/Al.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6.
What are the key properties of aluminum;trisodium;diphosphate?
aluminum;trisodium;diphosphate has a molecular weight of 285.89 g/mol, XLogP of -15.02, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;trisodium;diphosphate is sourced from PubChem (CID 6453224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).