CID 173392733

C72H186Cl6O30Sb6 — CID 173392733

IUPAC—
SMILESCC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.Cl.Cl.Cl.Cl.Cl.Cl.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-]
InChIInChI=1S/12C6H15O.6ClH.18O.6Sb/c12*1-4-7(5-2)6-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*4-6H2,1-3H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeySXFYPINVZZIYAM-UHFFFAOYSA-N
MW2475.53 g/mol
LogP4.45
Rot. Bonds36

About CID 173392733

CID 173392733 (PubChem CID 173392733) has the molecular formula C72H186Cl6O30Sb6 and a molecular weight of 2475.53 g/mol.

Molecular Properties

Compound NameCID 173392733
PubChem CID173392733
Molecular FormulaC72H186Cl6O30Sb6
Molecular Weight2475.53 g/mol
Exact Mass2466.54
IUPAC Name—
SMILESCC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.Cl.Cl.Cl.Cl.Cl.Cl.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-]
InChIInChI=1S/12C6H15O.6ClH.18O.6Sb/c12*1-4-7(5-2)6-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*4-6H2,1-3H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeySXFYPINVZZIYAM-UHFFFAOYSA-N
XLogP4.45
TPSA411.54 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002475.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze CID 173392733 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173392733?
The IUPAC name of CID 173392733 (CID 173392733) is not available.
What is the SMILES notation for CID 173392733?
The canonical SMILES for CID 173392733 is CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.Cl.Cl.Cl.Cl.Cl.Cl.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].
What is the InChIKey of CID 173392733?
The InChIKey is SXFYPINVZZIYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/12C6H15O.6ClH.18O.6Sb/c12*1-4-7(5-2)6-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*4-6H2,1-3H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;.
What are the key properties of CID 173392733?
CID 173392733 has a molecular weight of 2475.53 g/mol, XLogP of 4.45, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173392733 is sourced from PubChem (CID 173392733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).