tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate

H15Ba4Ca4F7Na4O32Si7Sr4 — CID 173169334

IUPACtetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate
SMILESO.O.O.O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+].[Na+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sr+2].[Sr+2].[Sr+2].[Sr+2]
InChIInChI=1S/4Ba.4Ca.7FH.4Na.7O3Si.11H2O.4Sr/c;;;;;;;;;;;;;;;;;;;7*1-4(2)3;;;;;;;;;;;;;;;/h;;;;;;;;7*1H;;;;;;;;;;;;11*1H2;;;;/q8*+2;;;;;;;;4*+1;7*-2;;;;;;;;;;;;4*+2/p-14
InChIKeyZCYFGVMJUDEFHN-UHFFFAOYSA-A
MW2008.74 g/mol
LogP-62.21
Rot. Bonds

About tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate

tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate (PubChem CID 173169334) has the molecular formula H15Ba4Ca4F7Na4O32Si7Sr4 and a molecular weight of 2008.74 g/mol. Its IUPAC name is tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate.

Molecular Properties

Compound Nametetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate
PubChem CID173169334
Molecular FormulaH15Ba4Ca4F7Na4O32Si7Sr4
Molecular Weight2008.74 g/mol
Exact Mass2010.83
IUPAC Nametetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate
SMILESO.O.O.O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+].[Na+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sr+2].[Sr+2].[Sr+2].[Sr+2]
InChIInChI=1S/4Ba.4Ca.7FH.4Na.7O3Si.11H2O.4Sr/c;;;;;;;;;;;;;;;;;;;7*1-4(2)3;;;;;;;;;;;;;;;/h;;;;;;;;7*1H;;;;;;;;;;;;11*1H2;;;;/q8*+2;;;;;;;;4*+1;7*-2;;;;;;;;;;;;4*+2/p-14
InChIKeyZCYFGVMJUDEFHN-UHFFFAOYSA-A
XLogP-62.21
TPSA778.33 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002008.74
LogP ≤ 5-62.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;dioxido(oxo)silane;dihydroxide;trihydrate
CID 171920931
sodium;tris(dioxido(oxo)silane);hydrate
CID 90472018
lithium;disodium;dioxido(oxo)silane;hydroxide
CID 174832138
dicalcium;disodium;dioxido(oxo)silane;hydride
CID 173147864
calcium;barium(2+);dioxido(oxo)silane;hydride
CID 173168484
disodium;tris(dioxido(oxo)silane);zirconium(4+);dihydrate
CID 173159011
disodium;dioxido(oxo)silane
CID 23266
octalithium;dioxido(oxo)silane;hexafluoride
CID 173056738
beryllium;calcium;dioxido(oxo)silane
CID 18615796
disodium;copper;dioxido(oxo)silane
CID 173324979
tricalcium;bis(dioxido(oxo)silane);hydride
CID 22138181
CID 170851268
CID 170851268

Frequently Asked Questions

What is the IUPAC name of tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate?
The IUPAC name of tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate (CID 173169334) is tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate.
What is the SMILES notation for tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate?
The canonical SMILES for tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate is O.O.O.O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+].[Na+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sr+2].[Sr+2].[Sr+2].[Sr+2].
What is the InChIKey of tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate?
The InChIKey is ZCYFGVMJUDEFHN-UHFFFAOYSA-A. The full InChI is InChI=1S/4Ba.4Ca.7FH.4Na.7O3Si.11H2O.4Sr/c;;;;;;;;;;;;;;;;;;;7*1-4(2)3;;;;;;;;;;;;;;;/h;;;;;;;;7*1H;;;;;;;;;;;;11*1H2;;;;/q8*+2;;;;;;;;4*+1;7*-2;;;;;;;;;;;;4*+2/p-14.
What are the key properties of tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate?
tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate has a molecular weight of 2008.74 g/mol, XLogP of -62.21, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tetracalcium;tetrasodium;tetrastrontium;tetrakis(barium(2+));heptakis(dioxido(oxo)silane);heptafluoride;heptahydroxide;tetrahydrate is sourced from PubChem (CID 173169334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).