dialuminum;phosphono dihydrogen phosphate

H4Al2O7P2+6 — CID 175801807

IUPACdialuminum;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Al+3].[Al+3]
InChIInChI=1S/2Al.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+3;
InChIKeyQFJWYYLYAWXVTP-UHFFFAOYSA-N
MW231.94 g/mol
LogP-1.57
Rot. Bonds2

About dialuminum;phosphono dihydrogen phosphate

dialuminum;phosphono dihydrogen phosphate (PubChem CID 175801807) has the molecular formula H4Al2O7P2+6 and a molecular weight of 231.94 g/mol. Its IUPAC name is dialuminum;phosphono dihydrogen phosphate.

Molecular Properties

Compound Namedialuminum;phosphono dihydrogen phosphate
PubChem CID175801807
Molecular FormulaH4Al2O7P2+6
Molecular Weight231.94 g/mol
Exact Mass231.90
IUPAC Namedialuminum;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Al+3].[Al+3]
InChIInChI=1S/2Al.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+3;
InChIKeyQFJWYYLYAWXVTP-UHFFFAOYSA-N
XLogP-1.57
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.94
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dialuminum;phosphono dihydrogen phosphate?
The IUPAC name of dialuminum;phosphono dihydrogen phosphate (CID 175801807) is dialuminum;phosphono dihydrogen phosphate.
What is the SMILES notation for dialuminum;phosphono dihydrogen phosphate?
The canonical SMILES for dialuminum;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.[Al+3].[Al+3].
What is the InChIKey of dialuminum;phosphono dihydrogen phosphate?
The InChIKey is QFJWYYLYAWXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+3;.
What are the key properties of dialuminum;phosphono dihydrogen phosphate?
dialuminum;phosphono dihydrogen phosphate has a molecular weight of 231.94 g/mol, XLogP of -1.57, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;phosphono dihydrogen phosphate is sourced from PubChem (CID 175801807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).