Phenyl 2,4,6-Tri-O-Acetyl-3-O-Allyl-1-Thio-alpha-L-Threo-Hexopyranoside
[CAS# 197005-22-4]

Identification

• Name: Phenyl 2,4,6-Tri-O-Acetyl-3-O-Allyl-1-Thio-alpha-L-Threo-Hexopyranoside
• Synonyms: Phenyl 2,4,6-Tri-O-acetyl-3-O-allyl-1-thio-β-D-glucopyranoside
• Molecular Formula: C₂₁H₂₆O₈S
• Molecular Weight: 438.49
• CAS Registry Number: 197005-22-4
• SMILES: CC(=O)OC[C@H]1[C@H]([C@@H](C([C@@H](O1)Sc2ccccc2)OC(=O)C)OCC=C)OC(=O)C
• InChI: 1S/C21H26O8S/c1-5-11-25-19-18(27-14(3)23)17(12-26-13(2)22)29-21(20(19)28-15(4)24)30-16-9-7-6-8-10-16/h5-10,17-21H,1,11-12H2,2-4H3/t17-,18+,19-,20?,21-/m0/s1
• InChIKey: AEZBNOXQHIZNTR-GKCYTULTSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 533.22°C at 760 mmHg (Cal.)
• Flash point: 258.678°C (Cal.)
• Refractive index: 1.547 (Cal.)