dicesium;(nitric acid);dinitrate

H29Cs2N31O93 — CID 173116009

IUPACdicesium;(nitric acid);dinitrate
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cs+].[Cs+]
InChIInChI=1S/2Cs.29HNO3.2NO3/c;;31*2-1(3)4/h;;29*(H,2,3,4);;/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*-1
InChIKeyGUCQQPDIRLDKHB-UHFFFAOYSA-N
MW2217.17 g/mol
LogP-16.55
Rot. Bonds

About dicesium;(nitric acid);dinitrate

dicesium;(nitric acid);dinitrate (PubChem CID 173116009) has the molecular formula H29Cs2N31O93 and a molecular weight of 2217.17 g/mol. Its IUPAC name is dicesium;(nitric acid);dinitrate.

Molecular Properties

Compound Namedicesium;(nitric acid);dinitrate
PubChem CID173116009
Molecular FormulaH29Cs2N31O93
Molecular Weight2217.17 g/mol
Exact Mass2216.66
IUPAC Namedicesium;(nitric acid);dinitrate
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cs+].[Cs+]
InChIInChI=1S/2Cs.29HNO3.2NO3/c;;31*2-1(3)4/h;;29*(H,2,3,4);;/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*-1
InChIKeyGUCQQPDIRLDKHB-UHFFFAOYSA-N
XLogP-16.55
TPSA1970.13 Ų
H-Bond Donors29
H-Bond Acceptors64
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002217.17
LogP ≤ 5-16.55
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

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

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Related Compounds

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CID 173436166
λ2-plumbane;nitric acid;nitrate
CID 173329498
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europium(3+);nitric acid;trinitrate
CID 157102146
sodium;tris(nitric acid);phosphane;nitrate
CID 174885686
calcium;azane;bis(nitric acid);dinitrate
CID 173116154
potassium;bis(nitric acid);sulfane;nitrate
CID 174249776
hydrogen peroxide;nitric acid
CID 22590704
lutetium;nitric acid
CID 54604402
CID 173018650
CID 173018650
azane;(nitric acid)
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CID 173119618
CID 173119618

Frequently Asked Questions

What is the IUPAC name of dicesium;(nitric acid);dinitrate?
The IUPAC name of dicesium;(nitric acid);dinitrate (CID 173116009) is dicesium;(nitric acid);dinitrate.
What is the SMILES notation for dicesium;(nitric acid);dinitrate?
The canonical SMILES for dicesium;(nitric acid);dinitrate is O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cs+].[Cs+].
What is the InChIKey of dicesium;(nitric acid);dinitrate?
The InChIKey is GUCQQPDIRLDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2Cs.29HNO3.2NO3/c;;31*2-1(3)4/h;;29*(H,2,3,4);;/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*-1.
What are the key properties of dicesium;(nitric acid);dinitrate?
dicesium;(nitric acid);dinitrate has a molecular weight of 2217.17 g/mol, XLogP of -16.55, 0 rotatable bonds, 29 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;(nitric acid);dinitrate is sourced from PubChem (CID 173116009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).