(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]-1-Oxaspiro[2.5]Oct-6-Yl (Chloroacetyl)Carbamate

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Properties Simple | Detailed

Formula C19H28ClNO6
IUPAC Name [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-(2-chloroacetyl)carbamate
Molecular Mass 401.882 g·mol−1
Heat of Formation -949.1 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 479.16 Å 3
Surface Area 386.4 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-(2-chloroacetyl)carbamate
  • [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] n-(2-chloroethanoyl)carbamate
  • agm-1470
  • carbamic acid, (chloroacetyl)-, (3r,4s,5s,6r)-5-methoxy-4-[ (2r,3r)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
  • carbamic acid, (chloroacetyl)-, (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
  • n-(2-chloro-1-oxoethyl)carbamic acid [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-yl] ester
  • n-(2-chloroacetyl)carbamic acid [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] ester
  • tnp 470
  • tnp-470
CAS Number(s)
  • 129298-91-5
InChIKey MSHZHSPISPJWHW-PVDLLORBSA-N
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