Ethyl (2R,3R)-3-[(Ethoxycarbonyl)Oxy]-2-{1-[(R)-(4-Methylphenyl)Sulfinyl]Cyclopropyl}-1-Pyrrolidinecarboxylate

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Properties Simple | Detailed

Formula C20H27NO6S
IUPAC Name ethyl (2r,3r)-3-ethoxycarbonyloxy-2-[1-[(r)-p-tolylsulfinyl]cyclopropyl]pyrrolidine-1-carboxylate
Molecular Mass 409.496 g·mol−1
Heat of Formation -911.7 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 475.1 Å 3
Surface Area 398.93 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-carbethoxyoxy-2-[1-[(r)-(4-methylphenyl)sulfinyl]cyclopropyl]pyrrolidine-1-carboxylic acid ethyl ester
  • (2r,3r)-3-ethoxycarbonyloxy-2-[1-[(r)-(4-methylphenyl)sulfinyl]cyclopropyl]-1-pyrrolidinecarboxylic acid ethyl ester
  • 1-pyrrolidinecarboxylic acid, 3-((ethoxycarbonyl)oxy)-2-(1-((4-methylphenyl)sulfinyl)cyclopropyl)-, ethyl ester, (2r-(2alpha(r*),3beta))-
  • ethyl (2r,3r)-3-ethoxycarbonyloxy-2-[1-[(r)-(4-methylphenyl)sulfinyl]cyclopropyl]pyrrolidine-1-carboxylate
  • ethyl 3-(ethoxycarbonyloxy)-2-(1-(4-tolylsulfinyl)cyclopropyl)-1-pyrrolidinecarboxylate
  • ethyl ecotspec
CAS Number(s)
  • 145568-18-9
InChIKey QYQQHGIMEABPGX-FGHSDJDKSA-N
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