dibutylstannanebis(ylium) 2-hydroxybutanedioate

• ChemBase ID: 108377
• Molecular Formular: C12H22O5Sn
• Molecular Mass: 365.00108
• Monoisotopic Mass: 366.0489178
• SMILES: CCCC[Sn+2]CCCC.OC(CC(=O)[O-])C(=O)[O-]
• Canonical SMILES: [O-]C(=O)CC(C(=O)[O-])O.CCCC[Sn+2]CCCC
• InChI: InChI=1S/C4H6O5.2C4H9.Sn/c5-2(4(8)9)1-3(6)7;2*1-3-4-2;/h2,5H,1H2,(H,6,7)(H,8,9);2*1,3-4H2,2H3;/q;;;+2/p-2
• InChIKey: GGSRTHRSSCWGGK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylstannanebis(ylium) 2-hydroxybutanedioate
• IUPAC Traditional name: dibutylstannanebis(ylium) malate
• Synonyms: DIBUTYL TIN MALATE

Database IDs

• CAS Number: 15535-69-0
• PubChem SID: 162094436
• PubChem CID: 18512457

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1858
• LogD (pH = 7.4): 2.1858
• Log P: 2.1858
• Molar Refractivity: 38.943798 cm^3
• Polarizability: 20.164452 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207143

MP Biomedicals Rare Chemical collection