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Search term: IDRYSCOQVVUBIJ-PPGFLMPOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | berythromycin | C37H67NO12

berythromycin

  • Molecular FormulaC37H67NO12
  • Average mass717.927 Da
  • Monoisotopic mass717.466309 Da
  • ChemSpider ID16736538

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrah ydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrah ydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrah ydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione [French] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)
527-75-3 [RN]
beritromicina
berythromycin [USAN]
berythromycine
berythromycinum
berythromycinum [INN_la]
More...

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

3100 [DBID]
Abbot 24091 [DBID]
AN686JJ1YI [DBID]
CHEBI:28196 [DBID]
5206722; 74652 [DBID]
BRN 5206722 [DBID]
D03098 [DBID]
UNII:AN686JJ1YI [DBID]
UNII-AN686JJ1YI [DBID]
  • Miscellaneous

    • Chemical Class:

      An erythromycin that consists of erythronolide B having 2,6-dideoxy-3-<element>C</element>-methyl-3-<element>O</element>-methyl-<stereo>alpha</stereo>-<stereo>L</stereo>-<stereo>ribo</stereo>-hexopyra nosyl and 3,4,6-trideoxy-3-(dimethylamino)-<stereo>beta</stereo>-<stereo>D</stereo>-<stereo>xylo</stereo>-hexopyranosyl residues attahced at positions 4 and 6 respectively. ChEBI CHEBI:28196
      An erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyra; nosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28196
      An erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. ChEBI CHEBI:28196

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 442.2±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 187.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 17.93
ACD/KOC (pH 7.4): 168.57
Polar Surface Area: 174 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 610.2±5.0 cm3

Click to predict properties on the Chemicalize site


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