CID 57353059

Al4K3NaO16Si4-12 — CID 57353059

IUPAC—
SMILES[Al].[Al].[Al].[Al].[K+].[K+].[K+].[Na+].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/4Al.3K.Na.4O4Si/c;;;;;;;;4*1-5(2,3)4/q;;;;4*+1;4*-4
InChIKeyNIXVHLUCGARJKA-UHFFFAOYSA-N
MW616.54 g/mol
LogP-34.05
Rot. Bonds

About CID 57353059

CID 57353059 (PubChem CID 57353059) has the molecular formula Al4K3NaO16Si4-12 and a molecular weight of 616.54 g/mol.

Molecular Properties

Compound NameCID 57353059
PubChem CID57353059
Molecular FormulaAl4K3NaO16Si4-12
Molecular Weight616.54 g/mol
Exact Mass615.64
IUPAC Name—
SMILES[Al].[Al].[Al].[Al].[K+].[K+].[K+].[Na+].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/4Al.3K.Na.4O4Si/c;;;;;;;;4*1-5(2,3)4/q;;;;4*+1;4*-4
InChIKeyNIXVHLUCGARJKA-UHFFFAOYSA-N
XLogP-34.05
TPSA368.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.54
LogP ≤ 5-34.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

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platinum(4+) silicate
CID 173045404
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Frequently Asked Questions

What is the IUPAC name of CID 57353059?
The IUPAC name of CID 57353059 (CID 57353059) is not available.
What is the SMILES notation for CID 57353059?
The canonical SMILES for CID 57353059 is [Al].[Al].[Al].[Al].[K+].[K+].[K+].[Na+].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of CID 57353059?
The InChIKey is NIXVHLUCGARJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/4Al.3K.Na.4O4Si/c;;;;;;;;4*1-5(2,3)4/q;;;;4*+1;4*-4.
What are the key properties of CID 57353059?
CID 57353059 has a molecular weight of 616.54 g/mol, XLogP of -34.05, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57353059 is sourced from PubChem (CID 57353059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).