calcium;sodium;phosphoric acid;phosphate

H3CaNaO8P2 — CID 173179477

IUPACcalcium;sodium;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P([O-])([O-])[O-].[Ca+2].[Na+]
InChIInChI=1S/Ca.Na.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q+2;+1;;/p-3
InChIKeyCFNPEMYIAZCZIF-UHFFFAOYSA-K
MW256.03 g/mol
LogP-7.13
Rot. Bonds

About calcium;sodium;phosphoric acid;phosphate

calcium;sodium;phosphoric acid;phosphate (PubChem CID 173179477) has the molecular formula H3CaNaO8P2 and a molecular weight of 256.03 g/mol. Its IUPAC name is calcium;sodium;phosphoric acid;phosphate.

Molecular Properties

Compound Namecalcium;sodium;phosphoric acid;phosphate
PubChem CID173179477
Molecular FormulaH3CaNaO8P2
Molecular Weight256.03 g/mol
Exact Mass255.88
IUPAC Namecalcium;sodium;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P([O-])([O-])[O-].[Ca+2].[Na+]
InChIInChI=1S/Ca.Na.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q+2;+1;;/p-3
InChIKeyCFNPEMYIAZCZIF-UHFFFAOYSA-K
XLogP-7.13
TPSA164.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.03
LogP ≤ 5-7.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trisodium;phosphoric acid;phosphate
CID 172853200
triacontacalcium;phosphoric acid;icosaphosphate
CID 173080509
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
trilithium;phosphoric acid;phosphate
CID 158468021
decaaluminum;phosphoric acid;decaphosphate
CID 173424288
triazanium;phosphoric acid;phosphate
CID 18943137
nonacalcium;trisodium;heptaphosphate
CID 173013514
calcium;magnesium;azane;dihydrogen phosphate;phosphoric acid;phosphate
CID 175409363
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
diazanium;potassium;phosphoric acid;phosphate
CID 172814489
CID 173388644
CID 173388644
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013

Frequently Asked Questions

What is the IUPAC name of calcium;sodium;phosphoric acid;phosphate?
The IUPAC name of calcium;sodium;phosphoric acid;phosphate (CID 173179477) is calcium;sodium;phosphoric acid;phosphate.
What is the SMILES notation for calcium;sodium;phosphoric acid;phosphate?
The canonical SMILES for calcium;sodium;phosphoric acid;phosphate is O=P(O)(O)O.O=P([O-])([O-])[O-].[Ca+2].[Na+].
What is the InChIKey of calcium;sodium;phosphoric acid;phosphate?
The InChIKey is CFNPEMYIAZCZIF-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.Na.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q+2;+1;;/p-3.
What are the key properties of calcium;sodium;phosphoric acid;phosphate?
calcium;sodium;phosphoric acid;phosphate has a molecular weight of 256.03 g/mol, XLogP of -7.13, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;phosphoric acid;phosphate is sourced from PubChem (CID 173179477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).