Methyl 4,6-O-benzylidenehexopyranoside
[CAS# 65530-26-9]

Identification

• Name: Methyl 4,6-O-benzylidenehexopyranoside
• Synonyms: (+)-(4,6-O-Benzylidene)methyl-^a-D-glucopyranoside; (+)-(4,6-O-Benzylidene)methyl-α-D-glucopyranoside; 2-methoxy-6-phenyl-2H-3,4,5,6,7,8,4a,8a-octahydro-5,7-dioxachromene-3,4-diol
• Molecular Formula: C₁₄H₁₈O₆
• Molecular Weight: 282.29
• CAS Registry Number: 65530-26-9
• SMILES: COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)O
• InChI: 1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3
• InChIKey: VVSWDMJYIDBTMV-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 163-166°C (Expl.)
• Boiling point: 473.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 239.8±28.7°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012