(1S)-1,5-Anhydro-1-[(2E,4E,6E)-2,4,6-Decatrien-2-Yl]-4-Deoxy-2-O-Glycyl-4-Methyl-3-O-Methyl-D-Arabinitol

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Properties Simple | Detailed

Formula C19H31NO4
IUPAC Name [(2s,3s,4r,5r)-4-methoxy-5-methyl-2-[(1e,3e,5e)-1-methylnona-1,3,5-trienyl]tetrahydropyran-3-yl] 2-aminoacetate
Molecular Mass 337.454 g·mol−1
Heat of Formation -699.1 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 444.73 Å 3
Surface Area 374.71 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-aminoacetic acid [(2s,3s,4r,5r)-4-methoxy-5-methyl-2-[(1e,3e,5e)-1-methylnona-1,3,5-trienyl]-3-tetrahydropyranyl] ester
  • 2-aminoacetic acid [(2s,3s,4r,5r)-4-methoxy-5-methyl-2-[(1e,3e,5e)-1-methylnona-1,3,5-trienyl]tetrahydropyran-3-yl] ester
  • [(2s,3s,4r,5r)-2-[(2e,4e,6e)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyl-oxan-3-yl] 2-aminoethanoate
  • [(2s,3s,4r,5r)-2-[(2e,4e,6e)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
  • [(2s,3s,4r,5r)-4-methoxy-5-methyl-2-[(1e,3e,5e)-1-methylnona-1,3,5-trienyl]tetrahydropyran-3-yl] 2-aminoacetate
  • glycine, tetrahydro-4-methoxy-5-methyl-2-(1-methyl-1,3,5-nonatrienyl)-2h-pyran-3-yl ester, (2s-(2alpha(1e,3e,5e),3beta,4alpha,5alpha))-
  • restricticin
  • ro 09-1470
CAS Number(s)
  • 135357-96-9
InChIKey FIFAQBUMNRZWOQ-YIXVSHAOSA-N
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