azanium;calcium;dihydrogen phosphate;sulfate

H6CaNO8PS — CID 162180049

IUPACazanium;calcium;dihydrogen phosphate;sulfate
SMILESO=P([O-])(O)O.O=S(=O)([O-])[O-].[Ca+2].[NH4+]
InChIInChI=1S/Ca.H3N.H3O4P.H2O4S/c;;2*1-5(2,3)4/h;1H3;(H3,1,2,3,4);(H2,1,2,3,4)/q+2;;;/p-2
InChIKeyZOWZVZMUMJAHQL-UHFFFAOYSA-L
MW251.17 g/mol
LogP-2.90
Rot. Bonds

About azanium;calcium;dihydrogen phosphate;sulfate

azanium;calcium;dihydrogen phosphate;sulfate (PubChem CID 162180049) has the molecular formula H6CaNO8PS and a molecular weight of 251.17 g/mol. Its IUPAC name is azanium;calcium;dihydrogen phosphate;sulfate.

Molecular Properties

Compound Nameazanium;calcium;dihydrogen phosphate;sulfate
PubChem CID162180049
Molecular FormulaH6CaNO8PS
Molecular Weight251.17 g/mol
Exact Mass250.92
IUPAC Nameazanium;calcium;dihydrogen phosphate;sulfate
SMILESO=P([O-])(O)O.O=S(=O)([O-])[O-].[Ca+2].[NH4+]
InChIInChI=1S/Ca.H3N.H3O4P.H2O4S/c;;2*1-5(2,3)4/h;1H3;(H3,1,2,3,4);(H2,1,2,3,4)/q+2;;;/p-2
InChIKeyZOWZVZMUMJAHQL-UHFFFAOYSA-L
XLogP-2.90
TPSA197.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 5-2.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azanium;calcium;dihydrogen phosphate;sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;dihydrogen phosphate;lead(2+);hydroxide;sulfate
CID 173185251
dicalcium;phosphate;sulfate
CID 19375376
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
calcium;trizinc;diphosphate;sulfate
CID 173302517
barium(2+);phosphoric acid;sulfate
CID 158725602
lithium;dihydrogen phosphate;dihydrate
CID 162740177
lithium;dihydrogen phosphate;hydrate
CID 162740181
disodium;azane;dihydrogen phosphate;hydrogen sulfate
CID 174831334
azanium;zinc;dihydrogen phosphate;oxygen(2-)
CID 160778942
calcium;sodium;dihydrogen phosphate;dichloride
CID 174783945
calcium;dihydrogen phosphate;nickel(2+);phosphate
CID 157380067
aluminum;phosphate;sulfate
CID 18435162

Frequently Asked Questions

What is the IUPAC name of azanium;calcium;dihydrogen phosphate;sulfate?
The IUPAC name of azanium;calcium;dihydrogen phosphate;sulfate (CID 162180049) is azanium;calcium;dihydrogen phosphate;sulfate.
What is the SMILES notation for azanium;calcium;dihydrogen phosphate;sulfate?
The canonical SMILES for azanium;calcium;dihydrogen phosphate;sulfate is O=P([O-])(O)O.O=S(=O)([O-])[O-].[Ca+2].[NH4+].
What is the InChIKey of azanium;calcium;dihydrogen phosphate;sulfate?
The InChIKey is ZOWZVZMUMJAHQL-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.H3N.H3O4P.H2O4S/c;;2*1-5(2,3)4/h;1H3;(H3,1,2,3,4);(H2,1,2,3,4)/q+2;;;/p-2.
What are the key properties of azanium;calcium;dihydrogen phosphate;sulfate?
azanium;calcium;dihydrogen phosphate;sulfate has a molecular weight of 251.17 g/mol, XLogP of -2.90, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;calcium;dihydrogen phosphate;sulfate is sourced from PubChem (CID 162180049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).