(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(Methylthio)Cyclopentane-1,2,3-Triol

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Properties Simple | Detailed

Formula C13H19NO3S
IUPAC Name (1r,2r,3r,4s,5r)-4-(benzylamino)-5-methylsulfanyl-cyclopentane-1,2,3-triol
Molecular Mass 269.360 g·mol−1
Heat of Formation -476.7 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 323.75 Å 3
Surface Area 288.7 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r,4r,5s)-4-(methylthio)-5-(phenylmethylamino)cyclopentane-1,2,3-triol
  • (1r,2r,3r,4r,5s)-4-methylsulfanyl-5-(phenylmethylamino)cyclopentane-1,2,3-triol
  • 2sk
InChIKey CHTYSDQNKZIWBZ-ZOLYEBIHSA-N
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