Methyl (5R)-5-[(1S,2R)-2-Chloro-1-{[(4R)-1-Methyl-4-Propyl-L-Prolyl]Amino}Propyl]-1-Thio-β-L-Arabinopyranoside

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Properties Simple | Detailed

Formula C18H33ClN2O5S
IUPAC Name (1r,2s,4r)-n-[(1s,2r)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide
Molecular Mass 424.983 g·mol−1
Heat of Formation -1117.0 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 517.26 Å 3
Surface Area 409.4 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-n-[(1s,2r)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylthio)-2-tetrahydropyranyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide
  • (2s,4r)-n-[(1s,2r)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide
  • (2s,4r)-n-[(1s,2r)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide
  • (2s,4r)-n-[(1s,2r)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide
  • (2s,4r)-n-[(1s,2r)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
InChIKey KDLRVYVGXIQJDK-KIDUDLJLSA-N
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