(4S)-3,4-bis(benzyloxy)-6-methyloxan-2-ol

• ChemBase ID: 165896
• Molecular Formular: C20H24O4
• Molecular Mass: 328.40216
• Monoisotopic Mass: 328.16745925
• SMILES: C1(C[C@H](C(C(O1)O)OCc1ccccc1)OCc1ccccc1)C
• Canonical SMILES: CC1C[C@@H](OCc2ccccc2)C(C(O1)O)OCc1ccccc1
• InChI: InChI=1S/C20H24O4/c1-15-12-18(22-13-16-8-4-2-5-9-16)19(20(21)24-15)23-14-17-10-6-3-7-11-17/h2-11,15,18-21H,12-14H2,1H3/t15?,18-,19?,20?/m0/s1
• InChIKey: VYQVKGQQYCJUGT-RNBNBKNQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3,4-bis(benzyloxy)-6-methyloxan-2-ol
• IUPAC Traditional name: (4S)-3,4-bis(benzyloxy)-6-methyloxan-2-ol
• Synonyms: 4,6-Dideoxy-2,3-bis-O-(phenylmethyl)-L-xylo-hexose; 4-Deoxy-2,3-di-O-benzyl-L-fucose

Database IDs

• CAS Number: 191036-43-8
• PubChem SID: 162260029
• PubChem CID: 71315446

CALCULATED PROPERTIES

• Acid pKa: 11.353394
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.539864
• LogD (pH = 7.4): 3.5398164
• Log P: 3.5398648
• Molar Refractivity: 92.0102 cm^3
• Polarizability: 36.612476 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; DMF; DMSO; Ethyl Acetate; Methanol
• Apperance: Colourless Oil