calcium;sodium;trinitrite

CaN3NaO6 — CID 160863553

IUPACcalcium;sodium;trinitrite
SMILESO=N[O-].O=N[O-].O=N[O-].[Ca+2].[Na+]
InChIInChI=1S/Ca.3HNO2.Na/c;3*2-1-3;/h;3*(H,2,3);/q+2;;;;+1/p-3
InChIKeySKUPFOHUEISRNI-UHFFFAOYSA-K
MW201.08 g/mol
LogP-2.62
Rot. Bonds

About calcium;sodium;trinitrite

calcium;sodium;trinitrite (PubChem CID 160863553) has the molecular formula CaN3NaO6 and a molecular weight of 201.08 g/mol. Its IUPAC name is calcium;sodium;trinitrite.

Molecular Properties

Compound Namecalcium;sodium;trinitrite
PubChem CID160863553
Molecular FormulaCaN3NaO6
Molecular Weight201.08 g/mol
Exact Mass200.93
IUPAC Namecalcium;sodium;trinitrite
SMILESO=N[O-].O=N[O-].O=N[O-].[Ca+2].[Na+]
InChIInChI=1S/Ca.3HNO2.Na/c;3*2-1-3;/h;3*(H,2,3);/q+2;;;;+1/p-3
InChIKeySKUPFOHUEISRNI-UHFFFAOYSA-K
XLogP-2.62
TPSA157.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.08
LogP ≤ 5-2.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;trinitrite?
The IUPAC name of calcium;sodium;trinitrite (CID 160863553) is calcium;sodium;trinitrite.
What is the SMILES notation for calcium;sodium;trinitrite?
The canonical SMILES for calcium;sodium;trinitrite is O=N[O-].O=N[O-].O=N[O-].[Ca+2].[Na+].
What is the InChIKey of calcium;sodium;trinitrite?
The InChIKey is SKUPFOHUEISRNI-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.3HNO2.Na/c;3*2-1-3;/h;3*(H,2,3);/q+2;;;;+1/p-3.
What are the key properties of calcium;sodium;trinitrite?
calcium;sodium;trinitrite has a molecular weight of 201.08 g/mol, XLogP of -2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;trinitrite is sourced from PubChem (CID 160863553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).