Pederin

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Properties Simple | Detailed

Formula C25H43NO9
IUPAC Name n-[(s)-[(2s,4r,6r)-6-allyl-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-oxo-acetamide; (2r,3r)-2,3-dimethyl-4-methylene-3,5-dihydro-2h-pyran; methanone
Molecular Mass 501.610 g·mol−1
Heat of Formation -1799.1 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 623.44 Å 3
Surface Area 447.99 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 3.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(s)-[(2s,4r,6r)-6-[(2s)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyl-2-tetrahydropyranyl]-methoxymethyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-2-tetrahydropyranyl]acetamide
  • (2s)-n-[(s)-[(2s,4r,6r)-6-[(2s)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyl-oxan-2-yl]-methoxy-methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylidene-oxan-2-yl]ethanamide
  • (2s)-n-[(s)-[(2s,4r,6r)-6-[(2s)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
  • (2s)-n-[(s)-[(2s,4r,6r)-6-[(2s)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
  • 2h-puran-2-acetamide, n-[[6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5- dimethyl-2h-pyran-2-yl]tetrahydro-.alpha.-hydroxy-2- methoxy-5,6-dimethyl-4-methylene-, [2s-[2.alpha.[r*[r* (2s*,5s*,6s*)]],4.beta.,6.beta.(r*)]]-
  • 2h-pyran-2-acetamide, n-(6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2h-pyran-2-yl)tetrahydro-alpha-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-, (2s-(2alpha(r*(r* (2s*,5s*,6s*))),4beta,6beta(r*)))- (9ci)
  • 2h-pyran-2-glycolamide, n-((6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2h-pyran-2-yl)methoxymethyl)tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-
  • 2h-pyran-2-glycolamide, n-[[6-(2,3-dimethoxypropyl0tetrahydro-3-hydroxy-5,5- dimethyl-2h-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy- 5,6-dimethyl-4-methylene-
  • d-manno-nonitol, 2,6-anhydro-3,5,7-trideoxy-1-c-(((2s)-hydroxy((2r,5r,6r)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2h-pyran-2-yl)acetyl)amino)-5,5-dimethyl-1,8,9-tri-o-methyl-, (1s)-
CAS Number(s)
  • 27973-72-4
InChIKey ZNEZZONMADKYTB-VRCUBXEUSA-N
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