ChemSpider 2D Image | (2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-Acetoxy-9-hydroxy-14-[(2R,3R)-3-hydroxy-2-butanyl]-6-{[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexameth yl-2,10-dioxooxacyclotetradecan-4-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate | C43H74O15

(2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-Acetoxy-9-hydroxy-14-[(2R,3R)-3-hydroxy-2-butanyl]-6-{[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexameth yl-2,10-dioxooxacyclotetradecan-4-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate

  • Molecular FormulaC43H74O15
  • Average mass831.039 Da
  • Monoisotopic mass830.502747 Da
  • ChemSpider ID26325646

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-Acetoxy-9-hydroxy-14-[(2R,3R)-3-hydroxy-2-butanyl]-6-{[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexameth yl-2,10-dioxooxacyclotetradecan-4-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate [ACD/IUPAC Name]
(2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-Acetoxy-9-hydroxy-14-[(2R,3R)-3-hydroxy-2-butanyl]-6-{[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexameth yl-2,10-dioxooxacyclotetradecan-4-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-acétoxy-9-hydroxy-14-[(2R,3R)-3-hydroxy-2-butanyl]-6-{[(2S,3R,4S,6R)-4-méthoxy-3,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11, 13-hexaméthyl-2,10-dioxooxacyclotétradécan-4-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: 1.2±0.1 g/cm3
Boiling Point: 822.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 229.4±27.8 °C
Index of Refraction: 1.508
Molar Refractivity: 213.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1725.81
ACD/KOC (pH 5.5): 7221.65
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1725.80
ACD/KOC (pH 7.4): 7221.62
Polar Surface Area: 192 Å2
Polarizability: 84.8±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 717.9±5.0 cm3

Click to predict properties on the Chemicalize site


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