(2R)-3-Sulfanyl-2-{[(2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-1-Oxo-2-Hexanyl]Amino}Propanoic Acid

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Properties Simple | Detailed

Formula C9H17NO7S
IUPAC Name (2r)-2-[[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]amino]-3-sulfanyl-propanoic acid
Molecular Mass 283.299 g·mol−1
Heat of Formation -1265.8 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 319.96 Å 3
Surface Area 275.15 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]amino]-3-mercapto-propionic acid
  • (2r)-2-[[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]amino]-3-sulfanyl-propanoic acid
  • (2r)-2-[[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxypentyl]amino]-3-mercaptopropanoic acid
  • (2r)-3-sulfanyl-2-[[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]amino]propanoic acid
  • (2r)-3-sulfanyl-2-[[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]propanoic acid
  • d-glucose, 2-((1-carboxy-2-mercaptoethyl)amino)-2-deoxy-, (2(r))-
  • d-glucose-l-cysteine
  • glucose-cys
  • glucose-cysteine
CAS Number(s)
  • 38325-69-8
InChIKey FWJCGYARZCLQFK-TVNFTVLESA-N
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