calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid

H6CaO7PS+ — CID 173175624

IUPACcalcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid
SMILESO=S(=O)(O)O.O=[P+](O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H2O4S.HO3P.2H/c;1-5(2,3)4;1-4(2)3;;/h;(H2,1,2,3,4);(H-,1,2,3);;/q+2;;;2*-1/p+1
InChIKeyRXPYXHWQBOQJGJ-UHFFFAOYSA-O
MW221.16 g/mol
LogP-1.18
Rot. Bonds

About calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid

calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid (PubChem CID 173175624) has the molecular formula H6CaO7PS+ and a molecular weight of 221.16 g/mol. Its IUPAC name is calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid.

Molecular Properties

Compound Namecalcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid
PubChem CID173175624
Molecular FormulaH6CaO7PS+
Molecular Weight221.16 g/mol
Exact Mass220.92
IUPAC Namecalcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid
SMILESO=S(=O)(O)O.O=[P+](O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H2O4S.HO3P.2H/c;1-5(2,3)4;1-4(2)3;;/h;(H2,1,2,3,4);(H-,1,2,3);;/q+2;;;2*-1/p+1
InChIKeyRXPYXHWQBOQJGJ-UHFFFAOYSA-O
XLogP-1.18
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 173127277
dicalcium;hydride;sulfuric acid;dihydrate
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calcium;hydride;sulfuric acid;hydrochloride
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dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
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calcium;alumane;hydride;manganese;sulfuric acid
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calcium;hydride;iron;sulfuric acid;hydrochloride
CID 173427945
tricalcium;alumane;hydride;sulfuric acid;hydrate
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dicalcium;oxygen(2-);sulfuric acid
CID 173454579

Frequently Asked Questions

What is the IUPAC name of calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid?
The IUPAC name of calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid (CID 173175624) is calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid.
What is the SMILES notation for calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid?
The canonical SMILES for calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid is O=S(=O)(O)O.O=[P+](O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid?
The InChIKey is RXPYXHWQBOQJGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/Ca.H2O4S.HO3P.2H/c;1-5(2,3)4;1-4(2)3;;/h;(H2,1,2,3,4);(H-,1,2,3);;/q+2;;;2*-1/p+1.
What are the key properties of calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid?
calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid has a molecular weight of 221.16 g/mol, XLogP of -1.18, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid is sourced from PubChem (CID 173175624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).