(2R,3R,4S,5S)-3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-methoxyoxane

• ChemBase ID: 174332
• Molecular Formular: C35H38O6
• Molecular Mass: 554.67262
• Monoisotopic Mass: 554.26683894
• SMILES: [C@@H]1([C@@H]([C@@H](C(O[C@H]1COCc1ccccc1)OC)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: COC1O[C@@H](COCc2ccccc2)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C35H38O6/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34+,35?/m1/s1
• InChIKey: IXEBJCKOMVGYKP-DLCPRKGNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S)-3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-methoxyoxane
• IUPAC Traditional name: (2R,3R,4S,5S)-3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-methoxyoxane
• Synonyms: Methyl 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-mannopyranoside; Methyl 2,3,4,6-Tetra-O-benzyl-D-mannopyranoside

Database IDs

• CAS Number: 83462-67-3
• PubChem SID: 164230242
• PubChem CID: 18655461

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 7.180986
• LogD (pH = 7.4): 7.180986
• Log P: 7.180986
• Molar Refractivity: 158.1298 cm^3
• Polarizability: 62.78689 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false