(3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-methyloxane

• ChemBase ID: 161913
• Molecular Formular: C34H36O5
• Molecular Mass: 524.64664
• Monoisotopic Mass: 524.25627425
• SMILES: [C@@H]1([C@@H]([C@@H]([C@H](C(O1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)C
• Canonical SMILES: C[C@@H]1OC(OCc2ccccc2)[C@@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H36O5/c1-26-31(35-22-27-14-6-2-7-15-27)32(36-23-28-16-8-3-9-17-28)33(37-24-29-18-10-4-11-19-29)34(39-26)38-25-30-20-12-5-13-21-30/h2-21,26,31-34H,22-25H2,1H3/t26-,31-,32+,33+,34?/m0/s1
• InChIKey: WFDBDGICTJECRL-KJDDAZAPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-methyloxane
• IUPAC Traditional name: (3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-methyloxane
• Synonyms: Phenylmethyl 6-Deoxy-2,3,4-tris-O-(phenylmethyl)-L-mannopyranoside; Benzyl 2,3,4-Tri-O-benzyl-L-rhamnopyranose

Database IDs

• CAS Number: 353754-90-2
• PubChem SID: 162256048
• PubChem CID: 71313915

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 7.5847692
• LogD (pH = 7.4): 7.5847692
• Log P: 7.5847692
• Molar Refractivity: 151.8349 cm^3
• Polarizability: 60.26664 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 12

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Dimethyl ether,DMF; DMSO; Ethanol; Methanol
• Apperance: White Crystals
• Melting Point: 44-58°C