ChemSpider 2D Image | (2S,3S,4R,6R)-6-{[(2R,3R,6R,7S,8S,9R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-17-(hydroxyimino)-2,6,8,10,16,18-hexamethyl-13-m ethylene-5-oxo-4,11,15-trioxabicyclo[8.5.4]nonadec-7-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate | C43H74N2O14

(2S,3S,4R,6R)-6-{[(2R,3R,6R,7S,8S,9R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-17-(hydroxyimino)-2,6,8,10,16,18-hexamethyl-13-m ethylene-5-oxo-4,11,15-trioxabicyclo[8.5.4]nonadec-7-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate

  • Molecular FormulaC43H74N2O14
  • Average mass843.053 Da
  • Monoisotopic mass842.513977 Da
  • ChemSpider ID7987010

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 18 defined stereocentres

More details:

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

(2S,3S,4R,6R)-6-{[(2R,3R,6R,7S,8S,9R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-17-(hydroxyimino)-2,6,8,10,16,18-hexamethyl-13-m ethylen-5-oxo-4,11,15-trioxabicyclo[8.5.4]nonadec-7-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl-acetat [German] [ACD/IUPAC Name]
(2S,3S,4R,6R)-6-{[(2R,3R,6R,7S,8S,9R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-17-(hydroxyimino)-2,6,8,10,16,18-hexamethyl-13-m ethylene-5-oxo-4,11,15-trioxabicyclo[8.5.4]nonadec-7-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate [ACD/IUPAC Name]
Acétate de (2S,3S,4R,6R)-6-{[(2R,3R,6R,7S,8S,9R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-3-éthyl-2-hydroxy-17-(hydroxyimino)-2,6,8,10,16,18-hexa méthyl-13-méthylène-5-oxo-4,11,15-trioxabicyclo[8.5.4]nonadéc-7-yl]oxy}-4-méthoxy-2,4-diméthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.9±6.0 kJ/mol
Flash Point: 480.8±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 213.1±0.5 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 14.08
ACD/KOC (pH 5.5): 46.91
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 717.99
ACD/KOC (pH 7.4): 2391.56
Polar Surface Area: 194 Å2
Polarizability: 84.5±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 671.8±7.0 cm3

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