CID 57377209

H24AlNaO20S2-3 — CID 57377209

IUPAC—
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al].[Na+]
InChIInChI=1S/Al.Na.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H2,1,2,3,4);12*1H2/q;+1;;;;;;;;;;;;;;/p-4
InChIKeyGELMRTCTYXMJSD-UHFFFAOYSA-J
MW458.28 g/mol
LogP-15.95
Rot. Bonds

About CID 57377209

CID 57377209 (PubChem CID 57377209) has the molecular formula H24AlNaO20S2-3 and a molecular weight of 458.28 g/mol.

Molecular Properties

Compound NameCID 57377209
PubChem CID57377209
Molecular FormulaH24AlNaO20S2-3
Molecular Weight458.28 g/mol
Exact Mass458.00
IUPAC Name—
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al].[Na+]
InChIInChI=1S/Al.Na.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H2,1,2,3,4);12*1H2/q;+1;;;;;;;;;;;;;;/p-4
InChIKeyGELMRTCTYXMJSD-UHFFFAOYSA-J
XLogP-15.95
TPSA538.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 5-15.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze CID 57377209 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;sulfate;heptahydrate
CID 18522796
disodium;disulfate;hydrate
CID 20976610
sodium;vanadium;trisulfate;hydrate
CID 158094000
sulfate trihydrate
CID 22613957
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
dialuminum;trisulfate;tetrahydrate
CID 169423459
sodium;rhodium(3+);disulfate
CID 172743239
bis(cerium(3+));trisulfate;pentahydrate
CID 57370410
bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103

Frequently Asked Questions

What is the IUPAC name of CID 57377209?
The IUPAC name of CID 57377209 (CID 57377209) is not available.
What is the SMILES notation for CID 57377209?
The canonical SMILES for CID 57377209 is O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al].[Na+].
What is the InChIKey of CID 57377209?
The InChIKey is GELMRTCTYXMJSD-UHFFFAOYSA-J. The full InChI is InChI=1S/Al.Na.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H2,1,2,3,4);12*1H2/q;+1;;;;;;;;;;;;;;/p-4.
What are the key properties of CID 57377209?
CID 57377209 has a molecular weight of 458.28 g/mol, XLogP of -15.95, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57377209 is sourced from PubChem (CID 57377209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).