(9S)-9-Amino-9-Deoxoerythromycin

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Properties Simple | Detailed

Formula C37H70N2O12
IUPAC Name (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Molecular Mass 734.958 g·mol−1
Heat of Formation -2664.9 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 919.11 Å 3
Surface Area 564.36 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
  • (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
  • (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
  • (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
  • 9-amino-9-deoxo-erythromycin, stereoisomer
  • 9-epierythromycylamine
  • epierythromycyl-a-amine
  • ern
  • erythromycin, 9-amino-9-deoxo-, (9s)- (9ci)
  • erythromycin, 9-amino-9-deoxo-, stereoisomer
CAS Number(s)
  • 26116-56-3
InChIKey XCLJRCAJSCMIND-JCTYMORFSA-N
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