3-({[(2-carboxyethyl)(oxo)germyl]oxy}(oxo)germyl)propanoic acid

• ChemBase ID: 129122
• Molecular Formular: C6H12Ge2O7
• Molecular Mass: 341.43528
• Monoisotopic Mass: 343.90065672
• SMILES: C(C[GeH](=O)O[GeH](=O)CCC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)CC[GeH](=O)O[GeH](=O)CCC(=O)O
• InChI: InChI=1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)
• InChIKey: XEABSBMNTNXEJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[(2-carboxyethyl)(oxo)germyl]oxy}(oxo)germyl)propanoic acid
• IUPAC Traditional name: propagermanium
• Synonyms: proxigermanium; Ge-132, germanium sesquioxidm; 2-carboxyethylgermasesquioxanm; SK-818, bis(2-carboxyethylgermanium) sesquioxide; Propagermanium; 2-(Carboxyethyl)germanium sesquioxide; Propagermanium; Bis(carboxyethylgermanium) sesquioxide; GE 132; Bis(2-carboxyethylgermanium(IV) sesquioxide); 双(羧乙基锗)倍半氧化合物; 羧乙基锗倍半氧化物

Database IDs

• CAS Number: 12758-40-6
• EC Number: 235-800-0
• MDL Number: MFCD00049319
• PubChem SID: 162223421; 24864663
• PubChem CID: 83030
• Wikipedia Title: Propagermanium

CALCULATED PROPERTIES

• Acid pKa: 2.767515
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -6.086496
• LogD (pH = 7.4): -8.539322
• Log P: -1.4028
• Molar Refractivity: 37.5294 cm^3
• Polarizability: 22.573511 Å^3
• Polar Surface Area: 117.97 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 320°C dec.

Safety Information

• RTECS: UA2459750
• German water hazard class: 2
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%; 99.7%
• Linear Formula: O[Ge(=O)CH2CH2CO2H]2

DETAILS

Sigma Aldrich - 396265

Packaging
5 g in glass bottle