CID 19900050

O18S6Sc2 — CID 19900050

IUPAC—
SMILESO=S(=O)([O-])S(=O)(=O)[O-].O=S(=O)([O-])S(=O)(=O)[O-].O=S(=O)([O-])S(=O)(=O)[O-].[Sc+3].[Sc+3]
InChIInChI=1S/3H2O6S2.2Sc/c3*1-7(2,3)8(4,5)6;;/h3*(H,1,2,3)(H,4,5,6);;/q;;;2*+3/p-6
InChIKeyKXCALMWMULVPOM-UHFFFAOYSA-H
MW570.30 g/mol
LogP-6.03
Rot. Bonds3

About CID 19900050

CID 19900050 (PubChem CID 19900050) has the molecular formula O18S6Sc2 and a molecular weight of 570.30 g/mol.

Molecular Properties

Compound NameCID 19900050
PubChem CID19900050
Molecular FormulaO18S6Sc2
Molecular Weight570.30 g/mol
Exact Mass569.65
IUPAC Name—
SMILESO=S(=O)([O-])S(=O)(=O)[O-].O=S(=O)([O-])S(=O)(=O)[O-].O=S(=O)([O-])S(=O)(=O)[O-].[Sc+3].[Sc+3]
InChIInChI=1S/3H2O6S2.2Sc/c3*1-7(2,3)8(4,5)6;;/h3*(H,1,2,3)(H,4,5,6);;/q;;;2*+3/p-6
InChIKeyKXCALMWMULVPOM-UHFFFAOYSA-H
XLogP-6.03
TPSA343.20 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.30
LogP ≤ 5-6.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze CID 19900050 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

CID 172807772
CID 172807772
CID 162021286
CID 162021286
azanium;scandium(3+);sulfate
CID 19900049
CID 175425911
CID 175425911
hexadecasilver;octasulfate
CID 174664647
CID 175737084
CID 175737084
bis(manganese(2+)) disulfate
CID 19851277
molybdenum trisulfate
CID 23513550
dicalcium;sulfate
CID 23431966
tris(vanadium);pentasulfate
CID 173042063
dilithium;cobalt;sulfate
CID 174060420
azanium sulfate
CID 21225610

Frequently Asked Questions

What is the IUPAC name of CID 19900050?
The IUPAC name of CID 19900050 (CID 19900050) is not available.
What is the SMILES notation for CID 19900050?
The canonical SMILES for CID 19900050 is O=S(=O)([O-])S(=O)(=O)[O-].O=S(=O)([O-])S(=O)(=O)[O-].O=S(=O)([O-])S(=O)(=O)[O-].[Sc+3].[Sc+3].
What is the InChIKey of CID 19900050?
The InChIKey is KXCALMWMULVPOM-UHFFFAOYSA-H. The full InChI is InChI=1S/3H2O6S2.2Sc/c3*1-7(2,3)8(4,5)6;;/h3*(H,1,2,3)(H,4,5,6);;/q;;;2*+3/p-6.
What are the key properties of CID 19900050?
CID 19900050 has a molecular weight of 570.30 g/mol, XLogP of -6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19900050 is sourced from PubChem (CID 19900050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).