dicalcium;sodium;dinitrite;phosphate

Ca2N2NaO8P — CID 158226844

IUPACdicalcium;sodium;dinitrite;phosphate
SMILESO=N[O-].O=N[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Na+]
InChIInChI=1S/2Ca.2HNO2.Na.H3O4P/c;;2*2-1-3;;1-5(2,3)4/h;;2*(H,2,3);;(H3,1,2,3,4)/q2*+2;;;+1;/p-5
InChIKeyGDWZJKQVCOEUAV-UHFFFAOYSA-I
MW290.13 g/mol
LogP-6.08
Rot. Bonds

About dicalcium;sodium;dinitrite;phosphate

dicalcium;sodium;dinitrite;phosphate (PubChem CID 158226844) has the molecular formula Ca2N2NaO8P and a molecular weight of 290.13 g/mol. Its IUPAC name is dicalcium;sodium;dinitrite;phosphate.

Molecular Properties

Compound Namedicalcium;sodium;dinitrite;phosphate
PubChem CID158226844
Molecular FormulaCa2N2NaO8P
Molecular Weight290.13 g/mol
Exact Mass289.85
IUPAC Namedicalcium;sodium;dinitrite;phosphate
SMILESO=N[O-].O=N[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Na+]
InChIInChI=1S/2Ca.2HNO2.Na.H3O4P/c;;2*2-1-3;;1-5(2,3)4/h;;2*(H,2,3);;(H3,1,2,3,4)/q2*+2;;;+1;/p-5
InChIKeyGDWZJKQVCOEUAV-UHFFFAOYSA-I
XLogP-6.08
TPSA191.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 5-6.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

nonacalcium;trisodium;heptaphosphate
CID 173013514
calcium;sodium;trinitrite
CID 160863553
Sodium nitrite N-15
CID 23662135
sodium phosphate
CID 21225609
pentacalcium;phosphate
CID 23104844
molybdenum diphosphate
CID 22395595
heptasodium;phosphate
CID 159686031
calcium;sodium;iron(2+);manganese(2+);phosphate
CID 22287648
tricalcium;fluoride;phosphate
CID 157125921
tricalcium;silver;phosphate
CID 161015169
octacalcium;phosphate;pentahydrate
CID 22051766
trisodium;phosphate;pentahydrate
CID 19993446

Frequently Asked Questions

What is the IUPAC name of dicalcium;sodium;dinitrite;phosphate?
The IUPAC name of dicalcium;sodium;dinitrite;phosphate (CID 158226844) is dicalcium;sodium;dinitrite;phosphate.
What is the SMILES notation for dicalcium;sodium;dinitrite;phosphate?
The canonical SMILES for dicalcium;sodium;dinitrite;phosphate is O=N[O-].O=N[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Na+].
What is the InChIKey of dicalcium;sodium;dinitrite;phosphate?
The InChIKey is GDWZJKQVCOEUAV-UHFFFAOYSA-I. The full InChI is InChI=1S/2Ca.2HNO2.Na.H3O4P/c;;2*2-1-3;;1-5(2,3)4/h;;2*(H,2,3);;(H3,1,2,3,4)/q2*+2;;;+1;/p-5.
What are the key properties of dicalcium;sodium;dinitrite;phosphate?
dicalcium;sodium;dinitrite;phosphate has a molecular weight of 290.13 g/mol, XLogP of -6.08, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;sodium;dinitrite;phosphate is sourced from PubChem (CID 158226844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).