(2S,3S)-2-(1,2-dihydroxyethyl)-5-(octyloxy)oxolane-3,4-diol

• ChemBase ID: 175804
• Molecular Formular: C14H28O6
• Molecular Mass: 292.36852
• Monoisotopic Mass: 292.18858862
• SMILES: [C@@H]1([C@@H](OC(C1O)OCCCCCCCC)C(O)CO)O
• Canonical SMILES: CCCCCCCCOC1O[C@H]([C@@H](C1O)O)C(CO)O
• InChI: InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-12(18)11(17)13(20-14)10(16)9-15/h10-18H,2-9H2,1H3/t10?,11-,12?,13-,14?/m0/s1
• InChIKey: VZLNXIZRQPJOEU-DHUKMVCYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S)-2-(1,2-dihydroxyethyl)-5-(octyloxy)oxolane-3,4-diol
• IUPAC Traditional name: (2S,3S)-2-(1,2-dihydroxyethyl)-5-(octyloxy)oxolane-3,4-diol
• Synonyms: Octyl D-Galactofuranoside

Database IDs

• CAS Number: 202403-49-4
• PubChem SID: 164231714
• PubChem CID: 71751291

CALCULATED PROPERTIES

• Acid pKa: 12.238498
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): 0.8127609
• LogD (pH = 7.4): 0.8127547
• Log P: 0.81276095
• Molar Refractivity: 72.9522 cm^3
• Polarizability: 29.735554 Å^3
• Polar Surface Area: 99.38 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid
• Melting Point: 95-97°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - O241180

Protected D-Galactofuranose.