(2S)-2-hydroxy-2-[(2S,3S,4R)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxolan-2-yl]ethyl 2,2-dimethylpropanoate

• ChemBase ID: 178307
• Molecular Formular: C26H44O10
• Molecular Mass: 516.62156
• Monoisotopic Mass: 516.29344761
• SMILES: [C@H]1([C@@H](OC([C@@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)[C@H](O)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C
• Canonical SMILES: O[C@@H]([C@@H]1OC([C@@H]([C@@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)COC(=O)C(C)(C)C
• InChI: InChI=1S/C26H44O10/c1-23(2,3)19(28)32-13-14(27)15-16(34-20(29)24(4,5)6)17(35-21(30)25(7,8)9)18(33-15)36-22(31)26(10,11)12/h14-18,27H,13H2,1-12H3/t14?,15-,16-,17+,18?/m0/s1
• InChIKey: QKVPHRSJRTWUAC-NNCLKIPCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-hydroxy-2-[(2S,3S,4R)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxolan-2-yl]ethyl 2,2-dimethylpropanoate
• IUPAC Traditional name: (2S)-2-hydroxy-2-[(2S,3S,4R)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxolan-2-yl]ethyl 2,2-dimethylpropanoate
• Synonyms: α-D-Galactofuranose 1,2,3,6-Tetrakis(2,2-dimethylpropanoate); 1,2,3,6-Tetra-O-pivaloyl-α-D-galactofuranoside

Database IDs

• CAS Number: 220017-49-2
• PubChem SID: 164234217
• PubChem CID: 71752425

CALCULATED PROPERTIES

• Acid pKa: 13.304489
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 6.030108
• LogD (pH = 7.4): 6.0301075
• Log P: 6.030108
• Molar Refractivity: 127.339 cm^3
• Polarizability: 52.39305 Å^3
• Polar Surface Area: 134.66 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: White Solid
• Melting Point: 102-106°C

Safety Information

• Storage Condition: Refrigerator