(4S,4aR,5S,6S,7R)-4,5,6,7-Tetrahydroxyhexahydropyrrolo[1,2-c][1,3]Oxazine-1-Thione
[CAS# 539020-82-1]

Identification

• Name: (4S,4aR,5S,6S,7R)-4,5,6,7-Tetrahydroxyhexahydropyrrolo[1,2-c][1,3]Oxazine-1-Thione
• Synonyms: (4S,4aR,5S,6S,7R)-4,5,6,7-tetrahydroxyhexahydro-1H-pyrrolo[1,2-c][1,3]oxazine-1-thione
• Molecular Formula: C₇H₁₁NO₅S
• Molecular Weight: 221.23
• CAS Registry Number: 539020-82-1
• SMILES: S=C1OC[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](O)N12
• InChI: 1S/C7H11NO5S/c9-2-1-13-7(14)8-3(2)4(10)5(11)6(8)12/h2-6,9-12H,1H2/t2-,3-,4+,5+,6-/m1/s1
• InChIKey: GSIJTFKSTDSFHC-RWOPYEJCSA-N

Properties

• Density: 1.864g/cm³ (Cal.)
• Boiling point: 401.314°C at 760 mmHg (Cal.)
• Flash point: 196.508°C (Cal.)
• Refractive index: 1.766 (Cal.)