(3R,4S,5R,6S)-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2,3,4-Triol
[CAS# 40525-07-3]

Identification

• Name: (3R,4S,5R,6S)-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2,3,4-Triol
• Molecular Formula: C₁₂H₂₂O₁₀
• Molecular Weight: 326.30
• CAS Registry Number: 40525-07-3
• SMILES: O[C@@H]2[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)OC(O)[C@@H]2O
• InChI: 1S/C12H22O10/c1-3-10(7(16)8(17)11(19)20-3)22-12-9(18)6(15)5(14)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4+,5+,6-,7-,8+,9+,10-,11?,12-/m0/s1
• InChIKey: VFLUXFSSKVKHEL-CHDOAOCXSA-N

Properties

• Density: 1.662g/cm³ (Cal.)
• Boiling point: 602.89°C at 760 mmHg (Cal.)
• Flash point: 318.416°C (Cal.)