(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Phenylsulfanyl-Tetrahydropyran-2-Carboxylic Acid
[CAS# 26399-82-6]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Phenylsulfanyl-Tetrahydropyran-2-Carboxylic Acid
• Synonyms: ¦Â-D-Glucopyranosiduronic acid, phenyl 1-thio-
• Molecular Formula: C₁₂H₁₄O₆S
• Molecular Weight: 286.30
• CAS Registry Number: 26399-82-6
• SMILES: OC(=O)[C@H]2O[C@@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H]2O
• InChI: 1S/C12H14O6S/c13-7-8(14)10(11(16)17)18-12(9(7)15)19-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12-/m0/s1
• InChIKey: XXJOOMMTHULGSD-LIJGXYGRSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 569.324°C at 760 mmHg (Cal.)
• Flash point: 298.117°C (Cal.)
• Refractive index: 1.683 (Cal.)