calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide

C5H7CaNO4P+ — CID 157441980

IUPACcalcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide
SMILESO=[P+]([O-])[O-].[Ca+2].[OH-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.Ca.HO3P.H2O/c1-2-4-6-5-3-1;;1-4(2)3;/h1-5H;;(H,1,2,3);1H2/q;+2;;/p-1
InChIKeyLTXIBJCSEWKKMD-UHFFFAOYSA-M
MW216.17 g/mol
LogP-1.69
Rot. Bonds

About calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide

calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide (PubChem CID 157441980) has the molecular formula C5H7CaNO4P+ and a molecular weight of 216.17 g/mol. Its IUPAC name is calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide.

Molecular Properties

Compound Namecalcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide
PubChem CID157441980
Molecular FormulaC5H7CaNO4P+
Molecular Weight216.17 g/mol
Exact Mass215.97
IUPAC Namecalcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide
SMILESO=[P+]([O-])[O-].[Ca+2].[OH-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.Ca.HO3P.H2O/c1-2-4-6-5-3-1;;1-4(2)3;/h1-5H;;(H,1,2,3);1H2/q;+2;;/p-1
InChIKeyLTXIBJCSEWKKMD-UHFFFAOYSA-M
XLogP-1.69
TPSA107.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide 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

potassium;phosphenic acid;pyridin-1-ium;hydroxide
CID 140685955
CID 18413708
CID 18413708
pyridin-1-ium dibromide
CID 15469340
pyridin-1-ium perchlorate
CID 11105938
potassium;pyridin-1-ium;acetate;hydroxide
CID 140686110
palladium(2+);bis(pyridin-1-ium);dinitrite
CID 170853525
pyridin-1-ium;dibromide;hydrobromide
CID 23338098
pyridin-1-ium;chloride;iodide
CID 73169683
dioxido(oxo)phosphanium;nickel(2+)
CID 15829259
pyridin-1-ium;sulfuric acid;chloride
CID 174872617
dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
CID 138394183
calcium;bis(dioxido(oxo)phosphanium);hydron
CID 158864827

Frequently Asked Questions

What is the IUPAC name of calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide?
The IUPAC name of calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide (CID 157441980) is calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide.
What is the SMILES notation for calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide?
The canonical SMILES for calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide is O=[P+]([O-])[O-].[Ca+2].[OH-].c1cc[nH+]cc1.
What is the InChIKey of calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide?
The InChIKey is LTXIBJCSEWKKMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N.Ca.HO3P.H2O/c1-2-4-6-5-3-1;;1-4(2)3;/h1-5H;;(H,1,2,3);1H2/q;+2;;/p-1.
What are the key properties of calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide?
calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide has a molecular weight of 216.17 g/mol, XLogP of -1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide is sourced from PubChem (CID 157441980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).