ChemSpider 2D Image | Megalomicin | C44H80N2O15

Megalomicin

  • Molecular FormulaC44H80N2O15
  • Average mass877.110 Da
  • Monoisotopic mass876.555847 Da
  • ChemSpider ID29548

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2 S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2 S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-7-{[(2 S,4R,5R,6S)-4-(diméthylamino)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-12,13-dihydroxy-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione [French] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)
28022-11-9 [RN]
Antibiotic W-847-A
Antibiotic XK 41C
Megalomicin [INN]
Megalomycin-A
Erythromycin,3''-O-demethyl-6-O-[2,3,6-trideoxy-3-(dimethylamino)-a-L-ribo-hexopyranosyl]-
More...

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

4236 [DBID]
TJB59Q46Z0 [DBID]
C11985 [DBID]
UNII:TJB59Q46Z0 [DBID]
UNII-TJB59Q46Z0 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 919.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.8±6.0 kJ/mol
Flash Point: 510.0±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 226.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.28
Polar Surface Area: 227 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 711.8±5.0 cm3

Click to predict properties on the Chemicalize site


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