Mycalamide C

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Properties Simple | Detailed

Formula C20H35NO8
IUPAC Name (2s)-n-[[(2r,3r,4s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5,5-dimethyl-tetrahydropyran-2-yl]methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
Molecular Mass 417.494 g·mol−1
Heat of Formation -1589.8 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 505.6 Å 3
Surface Area 376.92 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[[(2r,3r,4s,6s)-3,4-dihydroxy-5,5-dimethyl-6-methylol-tetrahydropyran-2-yl]methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
  • (2s)-n-[[(2r,3r,4s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5,5-dimethyl-2-tetrahydropyranyl]methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-2-tetrahydropyranyl]acetamide
  • (2s)-n-[[(2r,3r,4s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5,5-dimethyl-oxan-2-yl]methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylidene-oxan-2-yl]ethanamide
  • (2s)-n-[[(2r,3r,4s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5,5-dimethyl-tetrahydropyran-2-yl]methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
  • (2s)-n-[[(2r,3r,4s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5,5-dimethyloxan-2-yl]methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
InChIKey DCZMMILMODFEMS-AUYDAGNDSA-N
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