2,3,4,6-Tetra-O-Benzyl-1-O-[(Z)-{[4-(Trifluoromethyl)Benzyl]Sulfanyl}{[4-(Trifluoromethyl)Phenyl]Imino}Methyl]-alpha-D-Glucopyranose
[CAS# 468095-63-8]

Identification

• Name: 2,3,4,6-Tetra-O-Benzyl-1-O-[(Z)-{[4-(Trifluoromethyl)Benzyl]Sulfanyl}{[4-(Trifluoromethyl)Phenyl]Imino}Methyl]-alpha-D-Glucopyranose
• Synonyms: 2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate
• Molecular Formula: C₅₀H₄₅F₆NO₆S
• Molecular Weight: 901.95
• CAS Registry Number: 468095-63-8
• SMILES: FC(F)(F)c7ccc(/N=C(\SCc1ccc(cc1)C(F)(F)F)O[C@H]5O[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)[C@H]5OCc4ccccc4)COCc6ccccc6)cc7
• InChI: 1S/C50H45F6NO6S/c51-49(52,53)40-23-21-39(22-24-40)34-64-48(57-42-27-25-41(26-28-42)50(54,55)56)63-47-46(61-32-38-19-11-4-12-20-38)45(60-31-37-17-9-3-10-18-37)44(59-30-36-15-7-2-8-16-36)43(62-47)33-58-29-35-13-5-1-6-14-35/h1-28,43-47H,29-34H2/b57-48-/t43-,44-,45+,46-,47-/m1/s1
• InChIKey: LNIPCBRVKJJXQX-XYRVBCQQSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 843.531°C at 760 mmHg (Cal.)
• Flash point: 463.951°C (Cal.)
• Refractive index: 1.564 (Cal.)