2-Methyl-2-Propanyl (8R,8aR)-7,8-Dihydroxy-2-Phenylhexahydro-5H-[1,3]Dioxino[5,4-b]Pyridine-5-Carboxylate
[CAS# 133697-16-2]

Identification

• Name: 2-Methyl-2-Propanyl (8R,8aR)-7,8-Dihydroxy-2-Phenylhexahydro-5H-[1,3]Dioxino[5,4-b]Pyridine-5-Carboxylate
• Synonyms: 4,6-O-Benzylidene-N-(tert-butoxycarbonyl)-1,5-imino-D-glucitol
• Molecular Formula: C₁₈H₂₅NO₆
• Molecular Weight: 351.39
• CAS Registry Number: 133697-16-2
• SMILES: CC(C)(C)OC(=O)N1CC([C@H]([C@H]2C1COC(O2)c3ccccc3)O)O
• InChI: 1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-13(20)14(21)15-12(19)10-23-16(24-15)11-7-5-4-6-8-11/h4-8,12-16,20-21H,9-10H2,1-3H3/t12?,13?,14-,15-,16?/m1/s1
• InChIKey: VRFOIPNJKUIHCS-CWCWQXAUSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 505.95°C at 760 mmHg (Cal.)
• Flash point: 259.789°C (Cal.)
• Refractive index: 1.56 (Cal.)