Gerrardine
[CAS# 14022-19-6]

Identification

• Name: Gerrardine
• Synonyms: (3S,4S)-3-[(2R,5R)-5-[(3S,4S)-4-Hydroxydithiolan-3-Yl]-1-Methyl-Pyrrolidin-2-Yl]Dithiolan-4-Ol; (3S,4S)-3-[(2R,5R)-5-[(3S,4S)-4-Hydroxy-3-Dithiolanyl]-1-Methyl-2-Pyrrolidinyl]-4-Dithiolanol; (3S,4S)-3-[(2R,5R)-5-[(3S,4S)-4-Hydroxy-1,2-Dithiolan-3-Yl]-1-Methyl-Pyrrolidin-2-Yl]-1,2-Dithiolan-4-Ol
• Molecular Formula: C₁₁H₁₉NO₂S₄
• Molecular Weight: 325.52
• CAS Registry Number: 14022-19-6
• SMILES: [C@H]1(N([C@H](CC1)[C@@H]2SSC[C@@H]2O)C)[C@@H]3SSC[C@@H]3O
• InChI: 1S/C11H19NO2S4/c1-12-6(10-8(13)4-15-17-10)2-3-7(12)11-9(14)5-16-18-11/h6-11,13-14H,2-5H2,1H3/t6-,7-,8+,9+,10+,11+/m1/s1
• InChIKey: BEZBZIDWLUURMB-VCACHIOZSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 528.331°C at 760 mmHg (Cal.)
• Flash point: 273.325°C (Cal.)