Pirlimycin

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Properties Simple | Detailed

Formula C17H31ClN2O5S
IUPAC Name (2s,4r)-n-[(1s,2s)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-4-ethyl-piperidine-2-carboxamide
Molecular Mass 410.956 g·mol−1
Heat of Formation -1110.3 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 482.57 Å 3
Surface Area 390.97 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-n-[(1s,2s)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylthio)-2-tetrahydropyranyl]propyl]-4-ethyl-2-piperidinecarboxamide
  • (2s,4r)-n-[(1s,2s)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-4-ethyl-pipecolinamide
  • (2s,4r)-n-[(1s,2s)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-4-ethyl-piperidine-2-carboxamide
  • (2s,4r)-n-[(1s,2s)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-4-ethyl-piperidine-2-carboxamide
  • (2s,4r)-n-[(1s,2s)-2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide
  • l-threo-alpha-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-((((2s,4r)-4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-
  • l-threo-alpha-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-, (2s-cis)-
CAS Number(s)
  • 79548-73-5
InChIKey HBJOXQRURQPDEX-MHXMMLMNSA-N
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