(2R,4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-2-[3-(Phosphonomethylsulfanyl)Propylsulfanyl]Oxane-2-Carboxylic Acid
[CAS# 131853-21-9]

Identification

• Name: (2R,4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-2-[3-(Phosphonomethylsulfanyl)Propylsulfanyl]Oxane-2-Carboxylic Acid
• Synonyms: (2R,4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-2-[3-(Phosphonomethylsulfanyl)Propylsulfanyl]Tetrahydropyran-2-Carboxylic Acid; (2R,4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-2-[3-(Phosphonomethylthio)Propylthio]-2-Tetrahydropyrancarboxylic Acid; (2R,4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-2-[3-(Phosphonomethylthio)Propylthio]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₂H₂₃O₁₀PS₂
• Molecular Weight: 422.40
• CAS Registry Number: 131853-21-9
• SMILES: [C@H]1(C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(SCCCSC[P](O)(O)=O)C(O)=O)O
• InChI: 1S/C12H23O10PS2/c13-5-8(15)10-9(16)7(14)4-12(22-10,11(17)18)25-3-1-2-24-6-23(19,20)21/h7-10,13-16H,1-6H2,(H,17,18)(H2,19,20,21)/t7-,8-,9-,10-,12-/m1/s1
• InChIKey: AYIOJQCPSDUSRV-SANCVJEGSA-N

Properties

• Density: 1.691g/cm³ (Cal.)
• Boiling point: 817.98°C at 760 mmHg (Cal.)
• Flash point: 448.499°C (Cal.)