6-Hydroxy-2,2-Dimethyltetrahydrofuro[2',3':4,5]Furo[2,3-d][1,3]Dioxol-5(3Bh)-One
[CAS# 29514-28-1]

Identification

• Name: 6-Hydroxy-2,2-Dimethyltetrahydrofuro[2',3':4,5]Furo[2,3-d][1,3]Dioxol-5(3Bh)-One
• Synonyms: 1,2-O-ISOPROPYLIDENE-Î’-L-IDOFURANURONO-6,3-LACTONE; 1,2-O-Isopropylidene-α-D-glucofuranurono-6,3- lacton; 1,2-O-Isopropylidene-β-l-idofuranurono-6,3-lactone
• Molecular Formula: C₉H₁₂O₆
• Molecular Weight: 216.19
• CAS Registry Number: 29514-28-1
• SMILES: O=C3OC1C(OC2OC(OC12)(C)C)C3O
• InChI: 1S/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3
• InChIKey: BDBGJSXZKMTMGP-UHFFFAOYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 385.994°C at 760 mmHg (Cal.)
• Flash point: 158.842°C (Cal.)
• Refractive index: 1.51 (Cal.)

References

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