azanium;calcium;phosphate;hydrate

H6CaNO5P — CID 19878656

IUPACazanium;calcium;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Ca+2].[NH4+]
InChIInChI=1S/Ca.H3N.H3O4P.H2O/c;;1-5(2,3)4;/h;1H3;(H3,1,2,3,4);1H2/q+2;;;/p-2
InChIKeyUYOCGQNPSQOMIZ-UHFFFAOYSA-L
MW171.10 g/mol
LogP-3.65
Rot. Bonds

About azanium;calcium;phosphate;hydrate

azanium;calcium;phosphate;hydrate (PubChem CID 19878656) has the molecular formula H6CaNO5P and a molecular weight of 171.10 g/mol. Its IUPAC name is azanium;calcium;phosphate;hydrate.

Molecular Properties

Compound Nameazanium;calcium;phosphate;hydrate
PubChem CID19878656
Molecular FormulaH6CaNO5P
Molecular Weight171.10 g/mol
Exact Mass170.96
IUPAC Nameazanium;calcium;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Ca+2].[NH4+]
InChIInChI=1S/Ca.H3N.H3O4P.H2O/c;;1-5(2,3)4;/h;1H3;(H3,1,2,3,4);1H2/q+2;;;/p-2
InChIKeyUYOCGQNPSQOMIZ-UHFFFAOYSA-L
XLogP-3.65
TPSA154.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.10
LogP ≤ 5-3.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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phosphate octahydrate
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CID 158488180
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Frequently Asked Questions

What is the IUPAC name of azanium;calcium;phosphate;hydrate?
The IUPAC name of azanium;calcium;phosphate;hydrate (CID 19878656) is azanium;calcium;phosphate;hydrate.
What is the SMILES notation for azanium;calcium;phosphate;hydrate?
The canonical SMILES for azanium;calcium;phosphate;hydrate is O.O=P([O-])([O-])[O-].[Ca+2].[NH4+].
What is the InChIKey of azanium;calcium;phosphate;hydrate?
The InChIKey is UYOCGQNPSQOMIZ-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.H3N.H3O4P.H2O/c;;1-5(2,3)4;/h;1H3;(H3,1,2,3,4);1H2/q+2;;;/p-2.
What are the key properties of azanium;calcium;phosphate;hydrate?
azanium;calcium;phosphate;hydrate has a molecular weight of 171.10 g/mol, XLogP of -3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;calcium;phosphate;hydrate is sourced from PubChem (CID 19878656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).