ChemSpider 2D Image | (3S,4R,5R,6S,7S,9R,11S,12S,13R,14S)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-{[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-d imethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name) | C37H66FNO13

(3S,4R,5R,6S,7S,9R,11S,12S,13R,14S)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-{[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-d imethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)

  • Molecular FormulaC37H66FNO13
  • Average mass751.917 Da
  • Monoisotopic mass751.451843 Da
  • ChemSpider ID111310029

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3S,4R,5R,6S,7S,9R,11S,12S,13R,14S)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-9-fluor-7,12,13-trihydroxy-4-{[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-di methyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4R,5R,6S,7S,9R,11S,12S,13R,14S)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-{[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-d imethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name) [ACD/IUPAC Name]
(3S,4R,5R,6S,7S,9R,11S,12S,13R,14S)-6-{[(2R,3S,4R,6S)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-9-fluoro-7,12,13-trihydroxy-4-{[(2S,4S,5R,6R)-5-hydroxy-4-méthoxy-4,6-d iméthyltétrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 814.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.8±6.0 kJ/mol
Flash Point: 446.5±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 189.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 10.18
ACD/KOC (pH 7.4): 112.39
Polar Surface Area: 194 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 611.8±5.0 cm3

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