calcium;strontium;arsoric acid;hydroxide;phosphate

H4AsCaO9PSr — CID 22287672

IUPACcalcium;strontium;arsoric acid;hydroxide;phosphate
SMILESO=P([O-])([O-])[O-].O=[As](O)(O)O.[Ca+2].[OH-].[Sr+2]
InChIInChI=1S/AsH3O4.Ca.H3O4P.H2O.Sr/c2-1(3,4)5;;1-5(2,3)4;;/h(H3,2,3,4,5);;(H3,1,2,3,4);1H2;/q;+2;;;+2/p-4
InChIKeyPHFJLQQAGIORKB-UHFFFAOYSA-J
MW381.62 g/mol
LogP-5.93
Rot. Bonds

About calcium;strontium;arsoric acid;hydroxide;phosphate

calcium;strontium;arsoric acid;hydroxide;phosphate (PubChem CID 22287672) has the molecular formula H4AsCaO9PSr and a molecular weight of 381.62 g/mol. Its IUPAC name is calcium;strontium;arsoric acid;hydroxide;phosphate.

Molecular Properties

Compound Namecalcium;strontium;arsoric acid;hydroxide;phosphate
PubChem CID22287672
Molecular FormulaH4AsCaO9PSr
Molecular Weight381.62 g/mol
Exact Mass381.75
IUPAC Namecalcium;strontium;arsoric acid;hydroxide;phosphate
SMILESO=P([O-])([O-])[O-].O=[As](O)(O)O.[Ca+2].[OH-].[Sr+2]
InChIInChI=1S/AsH3O4.Ca.H3O4P.H2O.Sr/c2-1(3,4)5;;1-5(2,3)4;;/h(H3,2,3,4,5);;(H3,1,2,3,4);1H2;/q;+2;;;+2/p-4
InChIKeyPHFJLQQAGIORKB-UHFFFAOYSA-J
XLogP-5.93
TPSA194.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 5-5.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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pentacalcium;phosphate
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zirconium(4+) phosphate
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triacontacalcium;phosphoric acid;icosaphosphate
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calcium;magnesium;nickel(2+);diphosphate;hydrate
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tricalcium;silver;phosphate
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CID 22051766

Frequently Asked Questions

What is the IUPAC name of calcium;strontium;arsoric acid;hydroxide;phosphate?
The IUPAC name of calcium;strontium;arsoric acid;hydroxide;phosphate (CID 22287672) is calcium;strontium;arsoric acid;hydroxide;phosphate.
What is the SMILES notation for calcium;strontium;arsoric acid;hydroxide;phosphate?
The canonical SMILES for calcium;strontium;arsoric acid;hydroxide;phosphate is O=P([O-])([O-])[O-].O=[As](O)(O)O.[Ca+2].[OH-].[Sr+2].
What is the InChIKey of calcium;strontium;arsoric acid;hydroxide;phosphate?
The InChIKey is PHFJLQQAGIORKB-UHFFFAOYSA-J. The full InChI is InChI=1S/AsH3O4.Ca.H3O4P.H2O.Sr/c2-1(3,4)5;;1-5(2,3)4;;/h(H3,2,3,4,5);;(H3,1,2,3,4);1H2;/q;+2;;;+2/p-4.
What are the key properties of calcium;strontium;arsoric acid;hydroxide;phosphate?
calcium;strontium;arsoric acid;hydroxide;phosphate has a molecular weight of 381.62 g/mol, XLogP of -5.93, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;strontium;arsoric acid;hydroxide;phosphate is sourced from PubChem (CID 22287672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).