alumane;phosphoric acid

H9AlO8P2 — CID 173069752

IUPACalumane;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.[AlH3]
InChIInChI=1S/Al.2H3O4P.3H/c;2*1-5(2,3)4;;;/h;2*(H3,1,2,3,4);;;
InChIKeyHXYJQUHWTJENNR-UHFFFAOYSA-N
MW225.99 g/mol
LogP-3.04
Rot. Bonds

About alumane;phosphoric acid

alumane;phosphoric acid (PubChem CID 173069752) has the molecular formula H9AlO8P2 and a molecular weight of 225.99 g/mol. Its IUPAC name is alumane;phosphoric acid.

Molecular Properties

Compound Namealumane;phosphoric acid
PubChem CID173069752
Molecular FormulaH9AlO8P2
Molecular Weight225.99 g/mol
Exact Mass225.96
IUPAC Namealumane;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.[AlH3]
InChIInChI=1S/Al.2H3O4P.3H/c;2*1-5(2,3)4;;;/h;2*(H3,1,2,3,4);;;
InChIKeyHXYJQUHWTJENNR-UHFFFAOYSA-N
XLogP-3.04
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.99
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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Related Compounds

alumane;phosphoric acid
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alumane;phosphoric acid;zirconium
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alumane;ethane;phosphoric acid
CID 173118040
phosphoric acid;titanium
CID 139211571
phosphoric acid;trihydrate
CID 18988970
methane;phosphoric acid
CID 18515646
hydrogen peroxide;phosphoric acid
CID 18509931
CID 159816390
CID 159816390
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CID 174838016
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CID 90659592

Frequently Asked Questions

What is the IUPAC name of alumane;phosphoric acid?
The IUPAC name of alumane;phosphoric acid (CID 173069752) is alumane;phosphoric acid.
What is the SMILES notation for alumane;phosphoric acid?
The canonical SMILES for alumane;phosphoric acid is O=P(O)(O)O.O=P(O)(O)O.[AlH3].
What is the InChIKey of alumane;phosphoric acid?
The InChIKey is HXYJQUHWTJENNR-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.2H3O4P.3H/c;2*1-5(2,3)4;;;/h;2*(H3,1,2,3,4);;;.
What are the key properties of alumane;phosphoric acid?
alumane;phosphoric acid has a molecular weight of 225.99 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 is sourced from PubChem (CID 173069752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).