[(2R,3S,4S,5R)-3,4,5-tris(benzyloxy)-6-methoxyoxan-2-yl]methanol

• ChemBase ID: 174378
• Molecular Formular: C28H32O6
• Molecular Mass: 464.55008
• Monoisotopic Mass: 464.21988874
• SMILES: [C@H]1([C@@H]([C@@H](C(O[C@H]1CO)OC)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: OC[C@@H]1OC(OC)[C@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C28H32O6/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-29H,17-20H2,1H3/t24-,25+,26+,27-,28?/m1/s1
• InChIKey: MOKYEUQDXDKNDX-PBVUBXADSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3S,4S,5R)-3,4,5-tris(benzyloxy)-6-methoxyoxan-2-yl]methanol
• IUPAC Traditional name: [(2R,3S,4S,5R)-3,4,5-tris(benzyloxy)-6-methoxyoxan-2-yl]methanol
• Synonyms: (3,4,5-Tris-benzyloxy-6-methoxy-tetrahydro-pyran-2-yl)-methanol; Methyl 2,3,4-Tris-O-(phenylmethyl)-D-galactopyranoside; Methyl 2,3,4-Tri-O-benzyl-D-galactopyranoside

Database IDs

• CAS Number: 641635-63-4
• PubChem SID: 164230288
• PubChem CID: 71750624

CALCULATED PROPERTIES

• Acid pKa: 14.58272
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.813386
• LogD (pH = 7.4): 4.813386
• Log P: 4.813386
• Molar Refractivity: 128.766 cm^3
• Polarizability: 51.27114 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow Solid