(2S,3R,4S,5R)-5-[(1R)-1-hydroxyethyl]-2,4-dimethoxyoxolan-3-ol

• ChemBase ID: 305878
• Molecular Formular: C8H16O5
• Molecular Mass: 192.20964
• Monoisotopic Mass: 192.09977361
• SMILES: [C@@H]1([C@H]([C@H](O[C@@H]1[C@@H](C)O)OC)O)OC
• Canonical SMILES: CO[C@H]1O[C@@H]([C@H]([C@H]1O)OC)[C@H](O)C
• InChI: InChI=1S/C8H16O5/c1-4(9)6-7(11-2)5(10)8(12-3)13-6/h4-10H,1-3H3/t4-,5-,6-,7+,8+/m1/s1
• InChIKey: ARZQLRVAELSMQK-YQXRAVKXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5R)-5-[(1R)-1-hydroxyethyl]-2,4-dimethoxyoxolan-3-ol
• IUPAC Traditional name: (2S,3R,4S,5R)-5-[(1R)-1-hydroxyethyl]-2,4-dimethoxyoxolan-3-ol
• Synonyms: 5-(1-Hydroxyethyl)-2,4-dimethoxy tetrahydrofuran-3-ol

Database IDs

• CAS Number: N

CALCULATED PROPERTIES

• Acid pKa: 12.361581
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5993763
• LogD (pH = 7.4): -0.59938097
• Log P: -0.59937626
• Molar Refractivity: 43.8821 cm^3
• Polarizability: 18.18802 Å^3
• Polar Surface Area: 68.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil