(2R,4aS,6S,6aS)-7-Benzyl-2-phenyl-6-(phenylsulfanyl)hexahydro[1,3]dioxino[4',5':5,6]pyrano[3,4-d][1,3]oxazol-8(6H)-one
[CAS# 910805-49-1]

Identification

• Name: (2R,4aS,6S,6aS)-7-Benzyl-2-phenyl-6-(phenylsulfanyl)hexahydro[1,3]dioxino[4',5':5,6]pyrano[3,4-d][1,3]oxazol-8(6H)-one
• Synonyms: Phenyl N-Benzyl-2-amino-4,6-O-benzylidene-2-N,3-O-carbonyl-2-deoxy-1-thio-β-D-glucopyranoside
• Molecular Formula: C₂₇H₂₅NO₅S
• Molecular Weight: 475.56
• CAS Registry Number: 910805-49-1
• SMILES: c1ccc(cc1)CN2[C@H]3[C@H](C4[C@H](CO[C@H](O4)c5ccccc5)O[C@H]3Sc6ccccc6)OC2=O
• InChI: 1S/C27H25NO5S/c29-27-28(16-18-10-4-1-5-11-18)22-24(33-27)23-21(31-26(22)34-20-14-8-3-9-15-20)17-30-25(32-23)19-12-6-2-7-13-19/h1-15,21-26H,16-17H2/t21-,22-,23?,24+,25+,26-/m0/s1
• InChIKey: IPBJFGDRNYVDGL-UYTQOTBWSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 710.856°C at 760 mmHg (Cal.)
• Flash point: 383.712°C (Cal.)
• Refractive index: 1.682 (Cal.)