alumane;phosphoric acid;sulfuric acid;zinc

H10AlO12PS2Zn — CID 174818578

IUPACalumane;phosphoric acid;sulfuric acid;zinc
SMILESO=P(O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[AlH3].[Zn]
InChIInChI=1S/Al.H3O4P.2H2O4S.Zn.3H/c;3*1-5(2,3)4;;;;/h;(H3,1,2,3,4);2*(H2,1,2,3,4);;;;
InChIKeyNFLCQSDRUVPAAI-UHFFFAOYSA-N
MW389.55 g/mol
LogP-3.42
Rot. Bonds

About alumane;phosphoric acid;sulfuric acid;zinc

alumane;phosphoric acid;sulfuric acid;zinc (PubChem CID 174818578) has the molecular formula H10AlO12PS2Zn and a molecular weight of 389.55 g/mol. Its IUPAC name is alumane;phosphoric acid;sulfuric acid;zinc.

Molecular Properties

Compound Namealumane;phosphoric acid;sulfuric acid;zinc
PubChem CID174818578
Molecular FormulaH10AlO12PS2Zn
Molecular Weight389.55 g/mol
Exact Mass387.85
IUPAC Namealumane;phosphoric acid;sulfuric acid;zinc
SMILESO=P(O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[AlH3].[Zn]
InChIInChI=1S/Al.H3O4P.2H2O4S.Zn.3H/c;3*1-5(2,3)4;;;;/h;(H3,1,2,3,4);2*(H2,1,2,3,4);;;;
InChIKeyNFLCQSDRUVPAAI-UHFFFAOYSA-N
XLogP-3.42
TPSA226.96 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.55
LogP ≤ 5-3.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
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potassium;sodium;azane;hydride;phosphoric acid;sulfuric acid
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phosphoric acid;sulfuric acid;trichlorophosphane
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sulfuric acid;zinc
CID 173312320
alumane;sulfuric acid
CID 173042837
phosphoric acid;zinc
CID 173400996
alumane;phosphoric acid
CID 173069752
tetralithium;phosphoric acid
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alumane;phosphoric acid
CID 173406921

Frequently Asked Questions

What is the IUPAC name of alumane;phosphoric acid;sulfuric acid;zinc?
The IUPAC name of alumane;phosphoric acid;sulfuric acid;zinc (CID 174818578) is alumane;phosphoric acid;sulfuric acid;zinc.
What is the SMILES notation for alumane;phosphoric acid;sulfuric acid;zinc?
The canonical SMILES for alumane;phosphoric acid;sulfuric acid;zinc is O=P(O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[AlH3].[Zn].
What is the InChIKey of alumane;phosphoric acid;sulfuric acid;zinc?
The InChIKey is NFLCQSDRUVPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.H3O4P.2H2O4S.Zn.3H/c;3*1-5(2,3)4;;;;/h;(H3,1,2,3,4);2*(H2,1,2,3,4);;;;.
What are the key properties of alumane;phosphoric acid;sulfuric acid;zinc?
alumane;phosphoric acid;sulfuric acid;zinc has a molecular weight of 389.55 g/mol, XLogP of -3.42, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;phosphoric acid;sulfuric acid;zinc is sourced from PubChem (CID 174818578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).