dicalcium;strontium;zinc;disilicate;hydrate

H2Ca2O9Si2SrZn — CID 157386650

IUPACdicalcium;strontium;zinc;disilicate;hydrate
SMILESO.[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sr+2].[Zn+2]
InChIInChI=1S/2Ca.2O4Si.H2O.Sr.Zn/c;;2*1-5(2,3)4;;;/h;;;;1H2;;/q2*+2;2*-4;;2*+2
InChIKeyZDTIPIBXZMLIKK-UHFFFAOYSA-N
MW435.35 g/mol
LogP-12.24
Rot. Bonds

About dicalcium;strontium;zinc;disilicate;hydrate

dicalcium;strontium;zinc;disilicate;hydrate (PubChem CID 157386650) has the molecular formula H2Ca2O9Si2SrZn and a molecular weight of 435.35 g/mol. Its IUPAC name is dicalcium;strontium;zinc;disilicate;hydrate.

Molecular Properties

Compound Namedicalcium;strontium;zinc;disilicate;hydrate
PubChem CID157386650
Molecular FormulaH2Ca2O9Si2SrZn
Molecular Weight435.35 g/mol
Exact Mass433.68
IUPAC Namedicalcium;strontium;zinc;disilicate;hydrate
SMILESO.[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sr+2].[Zn+2]
InChIInChI=1S/2Ca.2O4Si.H2O.Sr.Zn/c;;2*1-5(2,3)4;;;/h;;;;1H2;;/q2*+2;2*-4;;2*+2
InChIKeyZDTIPIBXZMLIKK-UHFFFAOYSA-N
XLogP-12.24
TPSA215.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 5-12.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicalcium;strontium;zinc;disilicate;hydrate?
The IUPAC name of dicalcium;strontium;zinc;disilicate;hydrate (CID 157386650) is dicalcium;strontium;zinc;disilicate;hydrate.
What is the SMILES notation for dicalcium;strontium;zinc;disilicate;hydrate?
The canonical SMILES for dicalcium;strontium;zinc;disilicate;hydrate is O.[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sr+2].[Zn+2].
What is the InChIKey of dicalcium;strontium;zinc;disilicate;hydrate?
The InChIKey is ZDTIPIBXZMLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.2O4Si.H2O.Sr.Zn/c;;2*1-5(2,3)4;;;/h;;;;1H2;;/q2*+2;2*-4;;2*+2.
What are the key properties of dicalcium;strontium;zinc;disilicate;hydrate?
dicalcium;strontium;zinc;disilicate;hydrate has a molecular weight of 435.35 g/mol, XLogP of -12.24, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;strontium;zinc;disilicate;hydrate is sourced from PubChem (CID 157386650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).