CID 71350371

CHAlMgO8S-3 — CID 71350371

IUPAC—
SMILESO=C([O-])[O-].O=S(=O)([O-])[O-].[Al].[Mg+2].[OH-]
InChIInChI=1S/CH2O3.Al.Mg.H2O4S.H2O/c2-1(3)4;;;1-5(2,3)4;/h(H2,2,3,4);;;(H2,1,2,3,4);1H2/q;;+2;;/p-5
InChIKeyMDEBXOQSSDXEMV-UHFFFAOYSA-I
MW224.36 g/mol
LogP-4.72
Rot. Bonds

About CID 71350371

CID 71350371 (PubChem CID 71350371) has the molecular formula CHAlMgO8S-3 and a molecular weight of 224.36 g/mol.

Molecular Properties

Compound NameCID 71350371
PubChem CID71350371
Molecular FormulaCHAlMgO8S-3
Molecular Weight224.36 g/mol
Exact Mass223.91
IUPAC Name—
SMILESO=C([O-])[O-].O=S(=O)([O-])[O-].[Al].[Mg+2].[OH-]
InChIInChI=1S/CH2O3.Al.Mg.H2O4S.H2O/c2-1(3)4;;;1-5(2,3)4;/h(H2,2,3,4);;;(H2,1,2,3,4);1H2/q;;+2;;/p-5
InChIKeyMDEBXOQSSDXEMV-UHFFFAOYSA-I
XLogP-4.72
TPSA173.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.36
LogP ≤ 5-4.72
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 71350371?
The IUPAC name of CID 71350371 (CID 71350371) is not available.
What is the SMILES notation for CID 71350371?
The canonical SMILES for CID 71350371 is O=C([O-])[O-].O=S(=O)([O-])[O-].[Al].[Mg+2].[OH-].
What is the InChIKey of CID 71350371?
The InChIKey is MDEBXOQSSDXEMV-UHFFFAOYSA-I. The full InChI is InChI=1S/CH2O3.Al.Mg.H2O4S.H2O/c2-1(3)4;;;1-5(2,3)4;/h(H2,2,3,4);;;(H2,1,2,3,4);1H2/q;;+2;;/p-5.
What are the key properties of CID 71350371?
CID 71350371 has a molecular weight of 224.36 g/mol, XLogP of -4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71350371 is sourced from PubChem (CID 71350371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).