barium(2+);tris(dioxouranium(2+));hydride;diphosphate

H2BaO14P2U3 — CID 173395017

IUPACbarium(2+);tris(dioxouranium(2+));hydride;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=[U+2]=O.O=[U+2]=O.O=[U+2]=O.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.2H3O4P.6O.3U.2H/c;2*1-5(2,3)4;;;;;;;;;;;/h;2*(H3,1,2,3,4);;;;;;;;;;;/q+2;;;;;;;;;3*+2;2*-1/p-6
InChIKeyIGGFHQKUGDSAOX-UHFFFAOYSA-H
MW1139.37 g/mol
LogP-6.52
Rot. Bonds

About barium(2+);tris(dioxouranium(2+));hydride;diphosphate

barium(2+);tris(dioxouranium(2+));hydride;diphosphate (PubChem CID 173395017) has the molecular formula H2BaO14P2U3 and a molecular weight of 1139.37 g/mol. Its IUPAC name is barium(2+);tris(dioxouranium(2+));hydride;diphosphate.

Molecular Properties

Compound Namebarium(2+);tris(dioxouranium(2+));hydride;diphosphate
PubChem CID173395017
Molecular FormulaH2BaO14P2U3
Molecular Weight1139.37 g/mol
Exact Mass1139.95
IUPAC Namebarium(2+);tris(dioxouranium(2+));hydride;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=[U+2]=O.O=[U+2]=O.O=[U+2]=O.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.2H3O4P.6O.3U.2H/c;2*1-5(2,3)4;;;;;;;;;;;/h;2*(H3,1,2,3,4);;;;;;;;;;;/q+2;;;;;;;;;3*+2;2*-1/p-6
InChIKeyIGGFHQKUGDSAOX-UHFFFAOYSA-H
XLogP-6.52
TPSA274.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.37
LogP ≤ 5-6.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dioxouranium(2+);hydron;phosphate;hydrate
CID 173448097
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CID 3014757
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bis(barium(2+));niobium(5+);triphosphate
CID 173131360
tetracalcium;hydride;diphosphate
CID 173034518
barium(2+);hydron;phosphate
CID 173013414
tricalcium;trimagnesium;tristrontium;tris(barium(2+));hydride;diphosphate
CID 173318244
copper;sodium;zirconium;phosphate
CID 175582678
tetracalcium;hydride;zinc;diphosphate
CID 173330822
calcium;gadolinium(3+);hydride;phosphate
CID 175195736
disodium;barium(2+);bis(zirconium(4+));tetraphosphate
CID 173296087
silver;zinc;zirconium;phosphate
CID 175352769

Frequently Asked Questions

What is the IUPAC name of barium(2+);tris(dioxouranium(2+));hydride;diphosphate?
The IUPAC name of barium(2+);tris(dioxouranium(2+));hydride;diphosphate (CID 173395017) is barium(2+);tris(dioxouranium(2+));hydride;diphosphate.
What is the SMILES notation for barium(2+);tris(dioxouranium(2+));hydride;diphosphate?
The canonical SMILES for barium(2+);tris(dioxouranium(2+));hydride;diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=[U+2]=O.O=[U+2]=O.O=[U+2]=O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);tris(dioxouranium(2+));hydride;diphosphate?
The InChIKey is IGGFHQKUGDSAOX-UHFFFAOYSA-H. The full InChI is InChI=1S/Ba.2H3O4P.6O.3U.2H/c;2*1-5(2,3)4;;;;;;;;;;;/h;2*(H3,1,2,3,4);;;;;;;;;;;/q+2;;;;;;;;;3*+2;2*-1/p-6.
What are the key properties of barium(2+);tris(dioxouranium(2+));hydride;diphosphate?
barium(2+);tris(dioxouranium(2+));hydride;diphosphate has a molecular weight of 1139.37 g/mol, XLogP of -6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);tris(dioxouranium(2+));hydride;diphosphate is sourced from PubChem (CID 173395017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).