ChemSpider 2D Image | Erythromycylamine | C37H70N2O12

Erythromycylamine

  • Molecular FormulaC37H70N2O12
  • Average mass734.958 Da
  • Monoisotopic mass734.492859 Da
  • ChemSpider ID75752

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Erythromycylamine
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-Amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4 ,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-on [German] [ACD/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-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4 ,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-Amino-6-{[(2S,3R,4S,6R)-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4 ,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexaméthyloxacyclotétradécan-2-one [French] [ACD/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-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name)
(9S)-9-amino-9-deoxo-erythromycin
(9S)-9-Amino-9-deoxoerythromycin
(9S)-erythromycyclamine
26116-56-3 [RN]
(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
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

YX9KV1OMA4 [DBID]
BRN 4241492 [DBID]
  • Miscellaneous

    • Chemical Class:

      A macrolide antibiotic that is erythromycin A in which the ketone group has been converted into the corresponding imine and then reduced to give the corresponding amino compound (the 9S diastereoisome r). ChEBI CHEBI:73708
      A macrolide antibiotic that is erythromycin A in which the ketone group has been converted to the corresponding imine and then reduced to give the corresponding amino compound (the 9<stereo>S</stereo> diastereoisomer). ChEBI CHEBI:73708
      A macrolide antibiotic that is erythromycin A in which the ketone group has been converted to the corresponding imine and then reduced to give the corresponding amino compound (the 9S; diastereoisome r). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73708

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 810.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.1±6.0 kJ/mol
Flash Point: 443.8±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 614.5±5.0 cm3

Click to predict properties on the Chemicalize site


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