3,5,7-tris(dioxogadolinio)-1,9-dioxopentagalloxane

• ChemBase ID: 158781
• Molecular Formular: Ga5Gd3H2O12
• Molecular Mass: 1014.37368
• Monoisotopic Mass: 1012.3547995
• SMILES: O=[GaH]O[Ga](O[Ga](O[Ga](O[GaH]=O)[Gd](=O)=O)[Gd](=O)=O)[Gd](=O)=O
• Canonical SMILES: O=[GaH]O[Ga]([Gd](=O)=O)O[Ga]([Gd](=O)=O)O[Ga]([Gd](=O)=O)O[GaH]=O
• InChI: InChI=1S/5Ga.3Gd.12O
• InChIKey: STABFOFSMNKYNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5,7-tris(dioxogadolinio)-1,9-dioxopentagalloxane
• IUPAC Traditional name: 3,5,7-tris(dioxogadolinio)-1,9-dioxopentagalloxane
• Synonyms: Gadolinium gallium garnet; 钆镓石榴石

Database IDs

• CAS Number: 12024-36-1
• EC Number: 234-695-9
• MDL Number: MFCD00011027
• PubChem SID: 24846723

CALCULATED PROPERTIES

• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -1.7264
• LogD (pH = 7.4): -1.7264
• Log P: -1.7264
• Molar Refractivity: 16.944 cm^3
• Polarizability: 47.328484 Å^3
• Polar Surface Area: 173.48 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 7.09 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.9%
• Grade: purum
• Suitability: complies for identity
• Appearance: lumps (cryst.)
• Linear Formula: Gd3Ga5O12