(2R,3S,3aR,6aR)-3-Hydroxy-2-(Hydroxy-Phenylmethyl)-3,3a,6,6a-Tetrahydro-2H-Furo[4,5-b]Furan-5-One
[CAS# 136778-39-7]

Identification

• Name: (2R,3S,3aR,6aR)-3-Hydroxy-2-(Hydroxy-Phenylmethyl)-3,3a,6,6a-Tetrahydro-2H-Furo[4,5-b]Furan-5-One
• Synonyms: (2R,3S,3Ar,6Ar)-3-Hydroxy-2-(Hydroxy-Phenyl-Methyl)-3,3A,6,6A-Tetrahydro-2H-Furo[4,5-B]Furan-5-One; 7-Epi-Goniofufurone; Ido-Heptonic Acid, 3,6-Anhydro-2-Deoxy-7-C-Phenyl-, Gamma-Lactone, Stereoisomer
• Molecular Formula: C₁₃H₁₄O₅
• Molecular Weight: 250.25
• CAS Registry Number: 136778-39-7
• SMILES: [C@@H]12CC(O[C@@H]1[C@H]([C@H](O2)C(O)C3=CC=CC=C3)O)=O
• InChI: 1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2/t8-,10?,11-,12+,13-/m1/s1
• InChIKey: OGSSCWFZICJOMO-SLIWXIDXSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 527.118°C at 760 mmHg (Cal.)
• Flash point: 208.514°C (Cal.)