(1R,2R,3R,4S,5R)-4-Amino-5-[(R)-Methylsulfinyl]-1,2,3-Cyclopentanetriol

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Properties Simple | Detailed

Formula C6H13NO4S
IUPAC Name (1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol
Molecular Mass 195.237 g·mol−1
Heat of Formation -717.0 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 211.65 Å 3
Surface Area 195.89 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol
  • 1,2,3-cyclopentanetriol, 4-amino-5-(methylsulfinyl)-
  • 1,2,3-cyclopentanetriol, 4-amino-5-(methylsulfinyl)-, (1r-(1-alpha,2-alpha,3-alpha,4-alpha,5-beta(r*)))-
  • mannostatin b
CAS Number(s)
  • 102822-66-2
InChIKey ZJFKRRRXLLAUHQ-DMRLTRFVSA-N
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