(+)-Mannostatin A

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Properties Simple | Detailed

Formula C6H13NO3S
IUPAC Name (1r,2r,3r,4s,5r)-4-amino-5-methylsulfanyl-cyclopentane-1,2,3-triol
Molecular Mass 179.237 g·mol−1
Heat of Formation -587.9 ± 16.7 kJ·mol−1
Dipole Moment 0.67 ± 1.08 D
Volume 206.37 Å 3
Surface Area 191.39 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r,4s,5r)-4-amino-5-(methylthio)cyclopentane-1,2,3-triol
  • (1r,2r,3r,4s,5r)-4-amino-5-methylsulfanyl-cyclopentane-1,2,3-triol
  • (1r,2r,3r,4s,5r)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol
  • 1,2,3-cyclopentanetriol, 4-amino-5-(methylthio)-
  • 1,2,3-cyclopentanetriol, 4-amino-5-(methylthio)-, (1r-(1-alpha,2-alpha,3-alpha,4-alpha,5-beta))-
  • mannostatin a
CAS Number(s)
  • 102822-56-0
InChIKey BLOFGONIVNXZME-YDMGZANHSA-N
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