calcium;sodium;dihydrogen phosphate;carbonate

CH2CaNaO7P — CID 142655218

IUPACcalcium;sodium;dihydrogen phosphate;carbonate
SMILESO=C([O-])[O-].O=P([O-])(O)O.[Ca+2].[Na+]
InChIInChI=1S/CH2O3.Ca.Na.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+1;/p-3
InChIKeyPGFBRHFANBMLLX-UHFFFAOYSA-K
MW220.06 g/mol
LogP-7.38
Rot. Bonds

About calcium;sodium;dihydrogen phosphate;carbonate

calcium;sodium;dihydrogen phosphate;carbonate (PubChem CID 142655218) has the molecular formula CH2CaNaO7P and a molecular weight of 220.06 g/mol. Its IUPAC name is calcium;sodium;dihydrogen phosphate;carbonate.

Molecular Properties

Compound Namecalcium;sodium;dihydrogen phosphate;carbonate
PubChem CID142655218
Molecular FormulaCH2CaNaO7P
Molecular Weight220.06 g/mol
Exact Mass219.91
IUPAC Namecalcium;sodium;dihydrogen phosphate;carbonate
SMILESO=C([O-])[O-].O=P([O-])(O)O.[Ca+2].[Na+]
InChIInChI=1S/CH2O3.Ca.Na.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+1;/p-3
InChIKeyPGFBRHFANBMLLX-UHFFFAOYSA-K
XLogP-7.38
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 5-7.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;dihydrogen phosphate;carbonate?
The IUPAC name of calcium;sodium;dihydrogen phosphate;carbonate (CID 142655218) is calcium;sodium;dihydrogen phosphate;carbonate.
What is the SMILES notation for calcium;sodium;dihydrogen phosphate;carbonate?
The canonical SMILES for calcium;sodium;dihydrogen phosphate;carbonate is O=C([O-])[O-].O=P([O-])(O)O.[Ca+2].[Na+].
What is the InChIKey of calcium;sodium;dihydrogen phosphate;carbonate?
The InChIKey is PGFBRHFANBMLLX-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O3.Ca.Na.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+1;/p-3.
What are the key properties of calcium;sodium;dihydrogen phosphate;carbonate?
calcium;sodium;dihydrogen phosphate;carbonate has a molecular weight of 220.06 g/mol, XLogP of -7.38, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;dihydrogen phosphate;carbonate is sourced from PubChem (CID 142655218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).