tin(2+) ion 2,3-dihydroxybutanedioate

• ChemBase ID: 111957
• Molecular Formular: C4H4O6Sn
• Molecular Mass: 266.77196
• Monoisotopic Mass: 267.90298185
• SMILES: [Sn+2].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].[Sn+2]
• InChI: InChI=1S/C4H6O6.Sn/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2
• InChIKey: YXTDAZMTQFUZHK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: tin(2+) ion 2,3-dihydroxybutanedioate
• IUPAC Traditional name: tin, ion (sn2+) tartrate
• Synonyms: STANNOUS TARTRATE

Database IDs

• CAS Number: 815-85-0
• EC Number: 231-141-8
• PubChem SID: 162096818
• PubChem CID: 94188

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 47.8876 cm^3
• Polarizability: 10.630576 Å^3
• Polar Surface Area: 120.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: EJ9892500
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

DETAILS

MP Biomedicals - 05221948

MP Biomedicals Rare Chemical collection