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

• ChemBase ID: 53291
• Molecular Formular: C33H33BrO5
• Molecular Mass: 589.51612
• Monoisotopic Mass: 588.15113616
• SMILES: [C@H]1([C@H]([C@@H]([C@H]([C@H](O1)Br)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: Br[C@H]1O[C@H](OCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C33H33BrO5/c34-32-30(36-22-26-15-7-2-8-16-26)29(35-21-25-13-5-1-6-14-25)31(37-23-27-17-9-3-10-18-27)33(39-32)38-24-28-19-11-4-12-20-28/h1-20,29-33H,21-24H2/t29-,30-,31+,32+,33+/m1/s1
• InChIKey: CTKLYOLUBMYRCT-ZPZOKNLESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(benzyloxy)-6-bromooxane
• IUPAC Traditional name: (2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(benzyloxy)-6-bromooxane
• Synonyms: (2S,3S,4S,5R,6R)-2,3,4,5-Tetrakis(benzyloxy)-6-bromotetrahydro-2H-pyran

Database IDs

• MDL Number: MFCD17015037
• PubChem SID: 162058054
• PubChem CID: 49758018

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 7.3939962
• LogD (pH = 7.4): 7.3939962
• Log P: 7.3939962
• Molar Refractivity: 154.8002 cm^3
• Polarizability: 60.985924 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%