1,4-bis(propan-2-yl) (2R,3R)-2,3-bis[(trimethylsilyl)oxy]butanedioate

• ChemBase ID: 150545
• Molecular Formular: C16H34O6Si2
• Molecular Mass: 378.60856
• Monoisotopic Mass: 378.18939187
• SMILES: CC(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: CC(OC(=O)[C@@H]([C@H](C(=O)OC(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C
• InChI: InChI=1S/C16H34O6Si2/c1-11(2)19-15(17)13(21-23(5,6)7)14(22-24(8,9)10)16(18)20-12(3)4/h11-14H,1-10H3/t13-,14-/m1/s1
• InChIKey: WTAZEIUCUCCYIA-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(propan-2-yl) (2R,3R)-2,3-bis[(trimethylsilyl)oxy]butanedioate
• IUPAC Traditional name: 1,4-diisopropyl (2R,3R)-2,3-bis[(trimethylsilyl)oxy]butanedioate
• Synonyms: (+)-O,O′-Bis(trimethylsilyl)-L-tartaric acid diisopropyl ester; (+)-Diisopropyl-O,O′-bis(trimethylsilyl)-L-tartrate; (+)-O,O′-双(三甲基硅基)-L-酒石酸二异丙酯; (+)-二异丙基-O,O′-双(三甲基硅烷基)-L-酒石酸酯

Database IDs

• CAS Number: 130678-42-1
• MDL Number: MFCD00192055
• Beilstein Number: 3620696
• PubChem SID: 162244706; 24866313
• PubChem CID: 11036237

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0104
• LogD (pH = 7.4): 4.0104
• Log P: 4.0104
• Molar Refractivity: 86.3382 cm^3
• Polarizability: 39.052418 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105-107 °C/1 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.972 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)
• Optical Rotation: [α]20/D +57°, c = 1 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 99%
• Grade: Flukabrand™ ChiraSelect reagent
• Linear Formula: [-CH[OSi(CH3)3]CO2CH(CH3)2]2

DETAILS

Sigma Aldrich - 420131

Packaging
1 g in glass bottle
Legal Information
Flukabrand is a trademark of Sigma-Aldrich GmbH