(1R)-2-(acetyloxy)-1-[(2S,3S,4R)-3,4-bis(acetyloxy)-5-(octyloxy)oxolan-2-yl]ethyl acetate

• ChemBase ID: 175805
• Molecular Formular: C22H36O10
• Molecular Mass: 460.51524
• Monoisotopic Mass: 460.23084735
• SMILES: [C@H]1([C@@H](OC([C@@H]1OC(=O)C)OCCCCCCCC)[C@H](COC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CCCCCCCCOC1O[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)[C@@H](OC(=O)C)COC(=O)C
• InChI: InChI=1S/C22H36O10/c1-6-7-8-9-10-11-12-27-22-21(31-17(5)26)20(30-16(4)25)19(32-22)18(29-15(3)24)13-28-14(2)23/h18-22H,6-13H2,1-5H3/t18?,19-,20-,21+,22?/m0/s1
• InChIKey: YQYGIWWSRQRBBQ-QETREINWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2-(acetyloxy)-1-[(2S,3S,4R)-3,4-bis(acetyloxy)-5-(octyloxy)oxolan-2-yl]ethyl acetate
• IUPAC Traditional name: (1R)-2-(acetyloxy)-1-[(2S,3S,4R)-3,4-bis(acetyloxy)-5-(octyloxy)oxolan-2-yl]ethyl acetate
• Synonyms: Octyl D-Galactofuranoside Tetraacetate

Database IDs

• CAS Number: 223412-29-1
• PubChem SID: 164231715
• PubChem CID: 71751292

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.5772626
• LogD (pH = 7.4): 2.5772626
• Log P: 2.5772626
• Molar Refractivity: 109.5582 cm^3
• Polarizability: 45.156124 Å^3
• Polar Surface Area: 123.66 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Colourless Oil

DETAILS

Toronto Research Chemicals - O241200

Protected D-Galactofuranose.