(3S,4S,3'S,4'S)-3,3'-[(2R,5R)-1-Methyl-2,5-Pyrrolidinediyl]Bis(1,2-Dithiolan-4-Ol)

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Formula C11H19NO2S4
IUPAC Name (3s,4s)-3-[(2r,5r)-5-[(3s,4s)-4-hydroxydithiolan-3-yl]-1-methyl-pyrrolidin-2-yl]dithiolan-4-ol
Molecular Mass 325.534 g·mol−1
Heat of Formation -311.3 ± 16.7 kJ·mol−1
Dipole Moment 0.49 ± 1.08 D
Volume 360.74 Å 3
Surface Area 291.45 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (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
  • (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-hydroxydithiolan-3-yl]-1-methyl-pyrrolidin-2-yl]dithiolan-4-ol
  • (3s,4s)-3-[(2r,5r)-5-[(3s,4s)-4-hydroxydithiolan-3-yl]-1-methylpyrrolidin-2-yl]dithiolan-4-ol
  • gerrardine
CAS Number(s)
  • 14022-19-6
InChIKey BEZBZIDWLUURMB-VCACHIOZSA-N
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