(6R,8S,8aR)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine

• ChemBase ID: 161502
• Molecular Formular: C34H34O6
• Molecular Mass: 538.63016
• Monoisotopic Mass: 538.23553881
• SMILES: [C@H]1(C([C@@H](OC2[C@H]1OC(OC2)c1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CO[C@@H]1C(OCc2ccccc2)[C@H](OCc2ccccc2)OC2[C@H]1OC(OC2)c1ccccc1
• InChI: InChI=1S/C34H34O6/c1-5-13-25(14-6-1)21-35-31-30-29(24-38-33(40-30)28-19-11-4-12-20-28)39-34(37-23-27-17-9-3-10-18-27)32(31)36-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29?,30-,31+,32?,33?,34-/m1/s1
• InChIKey: GQMVOFUMWKGWCK-LAHMAKOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R,8S,8aR)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
• IUPAC Traditional name: (6R,8S,8aR)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
• Synonyms: Phenylmethyl 2,3-Bis-O-(phenylmethyl)-4,6-O-(phenylmethylene)-β-D-glucopyranoside; Benzyl 2,3-Di-O-benzyl-4,6-O-benzylidene-β-D-glucopyranoside

Database IDs

• CAS Number: 57783-66-1
• PubChem SID: 162255637
• PubChem CID: 46783491

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 7.335339
• LogD (pH = 7.4): 7.335339
• Log P: 7.335339
• Molar Refractivity: 150.8984 cm^3
• Polarizability: 60.206493 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: White Powder
• Melting Point: 135-137°C