tricyclo[3.3.1.1^{3,7}]tetrastiboxane

• ChemBase ID: 110428
• Molecular Formular: O6Sb4
• Molecular Mass: 583.0364
• Monoisotopic Mass: 579.58474772
• SMILES: O1[Sb]2O[Sb]3O[Sb]1O[Sb](O2)O3
• Canonical SMILES: O1[Sb]2O[Sb]3O[Sb]1O[Sb](O2)O3
• InChI: InChI=1S/6O.4Sb
• InChIKey: YEAUATLBSVJFOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[3.3.1.1^{3,7}]tetrastiboxane
• IUPAC Traditional name: tricyclo[3.3.1.1^{3,7}]tetrastiboxane
• Synonyms: ANTIMONY TRIOXIDE

Database IDs

• CAS Number: 1309-64-4
• EC Number: 215-175-0
• PubChem SID: 162095875
• PubChem CID: 16684270

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6496
• LogD (pH = 7.4): 1.6496
• Log P: 1.6496
• Molar Refractivity: 8.1012 cm^3
• Polarizability: 26.746616 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: CC5650000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:40
• Safety Statements: S:22-36/37

DETAILS

MP Biomedicals - 05214978

MP Biomedicals Rare Chemical collection