Berythromycin

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Properties Simple | Detailed

Formula C37H67NO12
IUPAC Name (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular Mass 717.927 g·mol−1
Heat of Formation -2616.0 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 902.54 Å 3
Surface Area 597.61 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 3.76 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
  • (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
  • (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-quinone
  • (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
  • (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-6-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-14-ethyl-7,12-dihydroxy-4-[[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
  • berythromycin (usan)
  • d03098
  • erythromycin b
  • lmpk01000015
InChIKey IDRYSCOQVVUBIJ-PPGFLMPOSA-N
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