Kitasamycin

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Properties Simple | Detailed

Formula C35H59NO13
IUPAC Name (2s,3s,4s,6r)-3-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6-dimethyl-heptane-1,2,7-triol trihydrate
Molecular Mass 701.842 g·mol−1
Heat of Formation -2475.0 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 857.82 Å 3
Surface Area 597.81 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,10-dihydroxy-2-keto-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[[(2s,3r,4r,5s,6r)-5-[[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • antibiotic a 6599
  • antibiotic ja-6599
  • leucomycin v
  • selectomycin
  • syneptine
  • turimycin
CAS Number(s)
  • 22875-15-6
  • 39405-35-1
  • 1392-21-8
InChIKey XYJOGTQLTFNMQG-KJHBSLKPSA-N
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