dicalcium;hydride;nitric acid;sulfuric acid

H5Ca2NO7S+2 — CID 173395522

IUPACdicalcium;hydride;nitric acid;sulfuric acid
SMILESO=S(=O)(O)O.O=[N+]([O-])O.[Ca+2].[Ca+2].[H-].[H-]
InChIInChI=1S/2Ca.HNO3.H2O4S.2H/c;;2-1(3)4;1-5(2,3)4;;/h;;(H,2,3,4);(H2,1,2,3,4);;/q2*+2;;;2*-1
InChIKeyIAFVSTBZKXHAQZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.54
Rot. Bonds

About dicalcium;hydride;nitric acid;sulfuric acid

dicalcium;hydride;nitric acid;sulfuric acid (PubChem CID 173395522) has the molecular formula H5Ca2NO7S+2 and a molecular weight of 243.26 g/mol. Its IUPAC name is dicalcium;hydride;nitric acid;sulfuric acid.

Molecular Properties

Compound Namedicalcium;hydride;nitric acid;sulfuric acid
PubChem CID173395522
Molecular FormulaH5Ca2NO7S+2
Molecular Weight243.26 g/mol
Exact Mass242.90
IUPAC Namedicalcium;hydride;nitric acid;sulfuric acid
SMILESO=S(=O)(O)O.O=[N+]([O-])O.[Ca+2].[Ca+2].[H-].[H-]
InChIInChI=1S/2Ca.HNO3.H2O4S.2H/c;;2-1(3)4;1-5(2,3)4;;/h;;(H,2,3,4);(H2,1,2,3,4);;/q2*+2;;;2*-1
InChIKeyIAFVSTBZKXHAQZ-UHFFFAOYSA-N
XLogP-1.54
TPSA137.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;nitric acid;sulfuric acid
CID 174264171
tricalcium;hydride;nitric acid
CID 173351072
calcium;magnesium;hydride;bis(nitric acid)
CID 173141921
calcium;hydride;bis(nitric acid);hydrochloride
CID 173046786
nitric acid;sulfurochloridic acid
CID 23373927
methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride
CID 159704639
potassium;sulfuric acid;nitrate
CID 23434685
sodium;sulfuric acid;nitrate
CID 131742416
calcium;hydride;nitric acid;zinc;hydrochloride
CID 173331234
dipotassium;hydride;nitric acid
CID 173026465
barium(2+);hydride;nitric acid
CID 172995919
magnesium;hydride;tris(nitric acid)
CID 173386256

Frequently Asked Questions

What is the IUPAC name of dicalcium;hydride;nitric acid;sulfuric acid?
The IUPAC name of dicalcium;hydride;nitric acid;sulfuric acid (CID 173395522) is dicalcium;hydride;nitric acid;sulfuric acid.
What is the SMILES notation for dicalcium;hydride;nitric acid;sulfuric acid?
The canonical SMILES for dicalcium;hydride;nitric acid;sulfuric acid is O=S(=O)(O)O.O=[N+]([O-])O.[Ca+2].[Ca+2].[H-].[H-].
What is the InChIKey of dicalcium;hydride;nitric acid;sulfuric acid?
The InChIKey is IAFVSTBZKXHAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.HNO3.H2O4S.2H/c;;2-1(3)4;1-5(2,3)4;;/h;;(H,2,3,4);(H2,1,2,3,4);;/q2*+2;;;2*-1.
What are the key properties of dicalcium;hydride;nitric acid;sulfuric acid?
dicalcium;hydride;nitric acid;sulfuric acid has a molecular weight of 243.26 g/mol, XLogP of -1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;hydride;nitric acid;sulfuric acid is sourced from PubChem (CID 173395522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).