(3S,4S,5R,6S,7R)-1-Oxaspiro[2.5]octane-4,5,6,7-tetrol
[CAS# 693245-36-2]

Identification

• Name: (3S,4S,5R,6S,7R)-1-Oxaspiro[2.5]octane-4,5,6,7-tetrol
• Synonyms: (3S,4S,5R,6S,7R)-1-oxaspiro[2.5]octane-4,5,6,7-tetraol; (3S,4S,5R,6S,7R)-4,5,6,7-Tetrahydroxy-1-oxaspiro[2,5]octane
• Molecular Formula: C₇H₁₂O₅
• Molecular Weight: 176.17
• CAS Registry Number: 693245-36-2
• SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@@]12CO2)O)O)O)O
• InChI: 1S/C7H12O5/c8-3-1-7(2-12-7)6(11)5(10)4(3)9/h3-6,8-11H,1-2H2/t3-,4+,5-,6+,7+/m1/s1
• InChIKey: PTOFPGOUNMCBOR-UOYQFSTFSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 366.0±42.0°C at 760 mmHg (Cal.)
• Flash point: 175.1±27.9°C (Cal.)
• Refractive index: 1.635 (Cal.)

References

• (1): Seiichiro Ogawa, Yo Ohishi, Miwako Asada, Akihiro Tomoda, Atsushi Takahashi, Yoriko Ooki, Midori Mori, Masayoshi Itoh and Takashi Korenaga. Convenient synthesis of (+)-valiolamine and (−)-1-epi-valiolamine from (−)-vibo-quercitol, Org. Biomol. Chem., 2004, 2, 884.