ChemSpider 2D Image | (2S,3R,4S,11R,12S)-11-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one | C37H65NO12

(2S,3R,4S,11R,12S)-11-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one

  • Molecular FormulaC37H65NO12
  • Average mass715.911 Da
  • Monoisotopic mass715.450684 Da
  • ChemSpider ID8548112

  • defined stereocentres - 13 of 17 defined stereocentres

More details:

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

(2S,3R,4S,11R,12S)-11-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-on [German] [ACD/IUPAC Name]
(2S,3R,4S,11R,12S)-11-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one [ACD/IUPAC Name]
(2S,3R,4S,11R,12S)-11-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5-éthyl-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl ]oxy}-2,4,8,10,12,14-hexaméthyl-6,15-dioxabicyclo[10.2.1]pentadéc-1(14)-én-7-one [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: 791.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±6.0 kJ/mol
Flash Point: 432.6±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 186.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 10.61
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 89.78
ACD/KOC (pH 7.4): 541.01
Polar Surface Area: 166 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 592.8±5.0 cm3

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