calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc

H14AlCaO8PSiSrZn — CID 173053948

IUPACcalcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc
SMILESO=P(O)(O)O.O[Si](O)(O)O.[AlH3].[Ca+2].[H-].[H-].[H-].[H-].[Sr+2].[Zn]
InChIInChI=1S/Al.Ca.H3O4P.H4O4Si.Sr.Zn.7H/c;;2*1-5(2,3)4;;;;;;;;;/h;;(H3,1,2,3,4);1-4H;;;;;;;;;/q;+2;;;+2;;;;;4*-1
InChIKeyKPTKHRHIRSVJCA-UHFFFAOYSA-N
MW421.23 g/mol
LogP-5.04
Rot. Bonds

About calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc

calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc (PubChem CID 173053948) has the molecular formula H14AlCaO8PSiSrZn and a molecular weight of 421.23 g/mol. Its IUPAC name is calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc.

Molecular Properties

Compound Namecalcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc
PubChem CID173053948
Molecular FormulaH14AlCaO8PSiSrZn
Molecular Weight421.23 g/mol
Exact Mass419.80
IUPAC Namecalcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc
SMILESO=P(O)(O)O.O[Si](O)(O)O.[AlH3].[Ca+2].[H-].[H-].[H-].[H-].[Sr+2].[Zn]
InChIInChI=1S/Al.Ca.H3O4P.H4O4Si.Sr.Zn.7H/c;;2*1-5(2,3)4;;;;;;;;;/h;;(H3,1,2,3,4);1-4H;;;;;;;;;/q;+2;;;+2;;;;;4*-1
InChIKeyKPTKHRHIRSVJCA-UHFFFAOYSA-N
XLogP-5.04
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.23
LogP ≤ 5-5.04
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'}

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Related Compounds

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calcium;strontium;hydride;silicic acid;zinc
CID 173049927
undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;hydride;hydron;phosphoric acid
CID 175552956
trimagnesium;hydride;phosphoric acid;zinc
CID 173288427
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
strontium;europium;hydride;phosphoric acid
CID 174397265
calcium;hydride;phosphoric acid;selane
CID 174689196
calcium;azane;hydride;phosphoric acid
CID 174906772
potassium;hydride;phosphoric acid;zinc
CID 173139535

Frequently Asked Questions

What is the IUPAC name of calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc?
The IUPAC name of calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc (CID 173053948) is calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc.
What is the SMILES notation for calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc?
The canonical SMILES for calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc is O=P(O)(O)O.O[Si](O)(O)O.[AlH3].[Ca+2].[H-].[H-].[H-].[H-].[Sr+2].[Zn].
What is the InChIKey of calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc?
The InChIKey is KPTKHRHIRSVJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.H3O4P.H4O4Si.Sr.Zn.7H/c;;2*1-5(2,3)4;;;;;;;;;/h;;(H3,1,2,3,4);1-4H;;;;;;;;;/q;+2;;;+2;;;;;4*-1.
What are the key properties of calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc?
calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc has a molecular weight of 421.23 g/mol, XLogP of -5.04, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;strontium;alumane;hydride;phosphoric acid;silicic acid;zinc is sourced from PubChem (CID 173053948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).