(1R,2R,3S,4R,5R)-2,3,4-Trihydroxy-5-(Hydroxymethyl)Cyclohexyl (1Z)-2-Phenyl-N-(Sulfooxy)Ethanimidothioate

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Formula C15H21NO8S2
IUPAC Name [(1r,2r,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] (1z)-2-phenyl-n-sulfooxy-ethanimidothioate
Molecular Mass 407.459 g·mol−1
Heat of Formation -1237.7 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 441.23 Å 3
Surface Area 359.1 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1e)-2-phenyl-n-(sulfooxy)ethanimidothioate
  • [[2-phenyl-1-[(1r,2r,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]sulfanyl-ethylidene]amino] hydrogen sulfate
  • [[2-phenyl-1-[[(1r,2r,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]thio]ethylidene]amino] hydrogen sulfate
  • [[2-phenyl-1-[[(1r,2r,3s,4r,5r)-2,3,4-trihydroxy-5-methylol-cyclohexyl]thio]ethylidene]amino] hydrogen sulfate
  • carba-glucotropaeolin
InChIKey LZDZCEOFJWRJIA-GGASBGQWSA-N
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