2-[(4aR,6R,7R,8R,8aS)-8-(benzyloxy)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 173368
• Molecular Formular: C29H27NO7
• Molecular Mass: 501.52718
• Monoisotopic Mass: 501.17875221
• SMILES: [C@H]1([C@@H]([C@@H](O[C@H]2[C@H]1OC(OC2)c1ccccc1)OC)N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1
• Canonical SMILES: CO[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C29H27NO7/c1-33-29-23(30-26(31)20-14-8-9-15-21(20)27(30)32)25(34-16-18-10-4-2-5-11-18)24-22(36-29)17-35-28(37-24)19-12-6-3-7-13-19/h2-15,22-25,28-29H,16-17H2,1H3/t22-,23-,24-,25-,28?,29-/m1/s1
• InChIKey: HYDHLSHOGOVBCQ-DIFZJPFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4aR,6R,7R,8R,8aS)-8-(benzyloxy)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-[(4aR,6R,7R,8R,8aS)-8-(benzyloxy)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
• Synonyms: Methyl 3-O-Benzyl-4,6-O-benzylidene-2-deoxy-2-N-phthalimido-β-D-glucopyranoside

Database IDs

• CAS Number: 97276-96-5
• PubChem SID: 164229278
• PubChem CID: 71750221

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.678942
• LogD (pH = 7.4): 4.678942
• Log P: 4.678942
• Molar Refractivity: 132.8722 cm^3
• Polarizability: 51.91212 Å^3
• Polar Surface Area: 83.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false