ChemSpider 2D Image | (1R,2R,5R,6S,7S,8R,9R,11R,12R,13S)-8-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-9-hydroxy-6-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H -pyran-2-yl]oxy}-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione | C37H65NO12

(1R,2R,5R,6S,7S,8R,9R,11R,12R,13S)-8-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-9-hydroxy-6-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H -pyran-2-yl]oxy}-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione

  • Molecular FormulaC37H65NO12
  • Average mass715.911 Da
  • Monoisotopic mass715.450684 Da
  • ChemSpider ID2298731

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1R,2R,5R,6S,7S,8R,9R,11R,12R,13S)-8-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-9-hydroxy-6-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H -pyran-2-yl]oxy}-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadecan-4,14-dion [German] [ACD/IUPAC Name]
(1R,2R,5R,6S,7S,8R,9R,11R,12R,13S)-8-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-9-hydroxy-6-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H -pyran-2-yl]oxy}-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione [ACD/IUPAC Name]
(1R,2R,5R,6S,7S,8R,9R,11R,12R,13S)-8-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-2-éthyl-9-hydroxy-6-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H -pyran-2-yl]oxy}-1,5,7,9,11,13-hexaméthyl-3,15-dioxabicyclo[10.2.1]pentadécane-4,14-dione [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: 796.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 435.5±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 185.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.97
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 23.10
ACD/KOC (pH 7.4): 202.10
Polar Surface Area: 163 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 600.0±5.0 cm3

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