ChemSpider 2D Image | (2R,3S,4R,6S)-4-(Dimethylamino)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexame thyl-2,10-dioxooxacyclotetradecan-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl ethyl succinate (non-preferred name) | C43H75NO16

(2R,3S,4R,6S)-4-(Dimethylamino)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexame thyl-2,10-dioxooxacyclotetradecan-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl ethyl succinate (non-preferred name)

  • Molecular FormulaC43H75NO16
  • Average mass862.053 Da
  • Monoisotopic mass861.508606 Da
  • ChemSpider ID113619305

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2R,3S,4R,6S)-4-(Dimethylamino)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexame thyl-2,10-dioxooxacyclotetradecan-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl ethyl succinate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,6S)-4-(Dimethylamino)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexame thyl-2,10-dioxooxacyclotetradecan-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl-ethyl-succinat (non-preferred name) [German] [ACD/IUPAC Name]
Succinate de (2R,3S,4R,6S)-4-(diméthylamino)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-éthyl-7,12,13-trihydroxy-4-{[(2S,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3,5,7,9 ,11,13-hexaméthyl-2,10-dioxooxacyclotétradécan-6-yl]oxy}-6-méthyltétrahydro-2H-pyran-3-yle et d'éthyle (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: 874.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.3±6.0 kJ/mol
Flash Point: 482.4±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 219.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 15.01
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 89.97
ACD/KOC (pH 7.4): 667.51
Polar Surface Area: 226 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 711.0±5.0 cm3

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