calcium;dihydrogen phosphite;nitrate

H2CaNO6P — CID 161369955

IUPACcalcium;dihydrogen phosphite;nitrate
SMILESO=[N+]([O-])[O-].[Ca+2].[O-]P(O)O
InChIInChI=1S/Ca.NO3.H2O3P/c;2-1(3)4;1-4(2)3/h;;1-2H/q+2;2*-1
InChIKeyVQIFOWUKCWDVOF-UHFFFAOYSA-N
MW183.07 g/mol
LogP-2.06
Rot. Bonds

About calcium;dihydrogen phosphite;nitrate

calcium;dihydrogen phosphite;nitrate (PubChem CID 161369955) has the molecular formula H2CaNO6P and a molecular weight of 183.07 g/mol. Its IUPAC name is calcium;dihydrogen phosphite;nitrate.

Molecular Properties

Compound Namecalcium;dihydrogen phosphite;nitrate
PubChem CID161369955
Molecular FormulaH2CaNO6P
Molecular Weight183.07 g/mol
Exact Mass182.92
IUPAC Namecalcium;dihydrogen phosphite;nitrate
SMILESO=[N+]([O-])[O-].[Ca+2].[O-]P(O)O
InChIInChI=1S/Ca.NO3.H2O3P/c;2-1(3)4;1-4(2)3/h;;1-2H/q+2;2*-1
InChIKeyVQIFOWUKCWDVOF-UHFFFAOYSA-N
XLogP-2.06
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.07
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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dicalcium;tetranitrate;tetrahydrate
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bismuth;calcium;pentanitrate
CID 160831581
dicalcium;carbonate;dinitrate
CID 19782802
calcium;azane;bis(nitric acid);dinitrate
CID 173116154
calcium;potassium;dinitrate;hydrate
CID 172855614
aluminum;calcium;chloride;nitrate
CID 20633899
calcium;oxocopper;dinitrate
CID 174972937
calcium;sodium;carbonate;nitrate
CID 158157140
niobium(3+) trinitrate
CID 14693735
tris(platinum(2+));hexanitrate
CID 158036528

Frequently Asked Questions

What is the IUPAC name of calcium;dihydrogen phosphite;nitrate?
The IUPAC name of calcium;dihydrogen phosphite;nitrate (CID 161369955) is calcium;dihydrogen phosphite;nitrate.
What is the SMILES notation for calcium;dihydrogen phosphite;nitrate?
The canonical SMILES for calcium;dihydrogen phosphite;nitrate is O=[N+]([O-])[O-].[Ca+2].[O-]P(O)O.
What is the InChIKey of calcium;dihydrogen phosphite;nitrate?
The InChIKey is VQIFOWUKCWDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.NO3.H2O3P/c;2-1(3)4;1-4(2)3/h;;1-2H/q+2;2*-1.
What are the key properties of calcium;dihydrogen phosphite;nitrate?
calcium;dihydrogen phosphite;nitrate has a molecular weight of 183.07 g/mol, XLogP of -2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dihydrogen phosphite;nitrate is sourced from PubChem (CID 161369955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).