2,3,4,6-Tetra-O-Benzoyl-1-O-[(Z)-{[4-(Trifluoromethyl)Benzyl]Sulfanyl}{[4-(Trifluoromethyl)Phenyl]Imino}Methyl]-alpha-D-Glucopyranose
[CAS# 428816-48-2]

Identification

• Name: 2,3,4,6-Tetra-O-Benzoyl-1-O-[(Z)-{[4-(Trifluoromethyl)Benzyl]Sulfanyl}{[4-(Trifluoromethyl)Phenyl]Imino}Methyl]-alpha-D-Glucopyranose
• Synonyms: 2,3,4,6-Tetra-O-benzoyl-α-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate
• Molecular Formula: C₅₀H₃₇F₆NO₁₀S
• Molecular Weight: 957.88
• CAS Registry Number: 428816-48-2
• SMILES: FC(F)(F)c7ccc(/N=C(\SCc1ccc(cc1)C(F)(F)F)O[C@H]5O[C@@H]([C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c3ccccc3)[C@H]5OC(=O)c4ccccc4)COC(=O)c6ccccc6)cc7
• InChI: 1S/C50H37F6NO10S/c51-49(52,53)36-23-21-31(22-24-36)30-68-48(57-38-27-25-37(26-28-38)50(54,55)56)67-47-42(66-46(61)35-19-11-4-12-20-35)41(65-45(60)34-17-9-3-10-18-34)40(64-44(59)33-15-7-2-8-16-33)39(63-47)29-62-43(58)32-13-5-1-6-14-32/h1-28,39-42,47H,29-30H2/b57-48-/t39-,40-,41+,42-,47-/m1/s1
• InChIKey: HTRJVXKRCWWVSR-DMOWWWNLSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 899.423°C at 760 mmHg (Cal.)
• Flash point: 497.753°C (Cal.)
• Refractive index: 1.585 (Cal.)