(2S-(2alpha,11abeta,11bbeta))-Hexahydro-11b-hydroxy-2-methyl-9H-Oxazolo(2,3-d)pyrrolo(1,2-b)(1,2,5)thiadiazepin-3(2H)-one 7,7-dioxide
[CAS# 134166-77-1]

Identification

• Name: (2S-(2alpha,11abeta,11bbeta))-Hexahydro-11b-hydroxy-2-methyl-9H-Oxazolo(2,3-d)pyrrolo(1,2-b)(1,2,5)thiadiazepin-3(2H)-one 7,7-dioxide
• Synonyms: Nsc645594; Oxa-Glycol; 9H-Oxazolo(2,3-D)Pyrrolo(1,2-B)(1,2,5)Thiadiazepin-3(2H)-One, Hexahydro-11B-Hydroxy-2-Methyl-, 7,7-Dioxide, (2S-(2Alpha,11Abeta,11Bbeta))-
• Molecular Formula: C₁₀H₁₆N₂O₅S
• Molecular Weight: 276.31
• CAS Registry Number: 134166-77-1
• SMILES: [C@@]12(O[C@H](C(=O)N1CC[S](=O)(=O)N3[C@H]2CCC3)C)O
• InChI: 1S/C10H16N2O5S/c1-7-9(13)11-5-6-18(15,16)12-4-2-3-8(12)10(11,14)17-7/h7-8,14H,2-6H2,1H3/t7-,8-,10+/m0/s1
• InChIKey: QOSWFGIZVQRPNU-OYNCUSHFSA-N

Properties

• Density: 1.598g/cm³ (Cal.)
• Boiling point: 516.638°C at 760 mmHg (Cal.)
• Flash point: 266.254°C (Cal.)