alumane;phosphoric acid

H18AlO20P5 — CID 173406921

IUPACalumane;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[AlH3]
InChIInChI=1S/Al.5H3O4P.3H/c;5*1-5(2,3)4;;;/h;5*(H3,1,2,3,4);;;
InChIKeyQBYALEKXCOGCSA-UHFFFAOYSA-N
MW519.98 g/mol
LogP-5.83
Rot. Bonds

About alumane;phosphoric acid

alumane;phosphoric acid (PubChem CID 173406921) has the molecular formula H18AlO20P5 and a molecular weight of 519.98 g/mol. Its IUPAC name is alumane;phosphoric acid.

Molecular Properties

Compound Namealumane;phosphoric acid
PubChem CID173406921
Molecular FormulaH18AlO20P5
Molecular Weight519.98 g/mol
Exact Mass519.89
IUPAC Namealumane;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[AlH3]
InChIInChI=1S/Al.5H3O4P.3H/c;5*1-5(2,3)4;;;/h;5*(H3,1,2,3,4);;;
InChIKeyQBYALEKXCOGCSA-UHFFFAOYSA-N
XLogP-5.83
TPSA388.80 Ų
H-Bond Donors15
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.98
LogP ≤ 5-5.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

alumane;phosphoric acid
CID 173069752
alumane;chromium;phosphoric acid
CID 174768488
alumane;nickel;phosphoric acid
CID 173344357
alumane;phosphoric acid;zirconium
CID 174457878
alumane;ethane;phosphoric acid
CID 173118040
phosphoric acid;titanium
CID 139211571
phosphoric acid;trihydrate
CID 18988970
phosphane;phosphoric acid
CID 173160232
hydrogen peroxide;phosphoric acid
CID 18509931
CID 159816390
CID 159816390
iron;phosphoric acid
CID 174838016
cerium;phosphoric acid
CID 90659592

Frequently Asked Questions

What is the IUPAC name of alumane;phosphoric acid?
The IUPAC name of alumane;phosphoric acid (CID 173406921) 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.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[AlH3].
What is the InChIKey of alumane;phosphoric acid?
The InChIKey is QBYALEKXCOGCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.5H3O4P.3H/c;5*1-5(2,3)4;;;/h;5*(H3,1,2,3,4);;;.
What are the key properties of alumane;phosphoric acid?
alumane;phosphoric acid has a molecular weight of 519.98 g/mol, XLogP of -5.83, 0 rotatable bonds, 15 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;phosphoric acid is sourced from PubChem (CID 173406921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).