ChemSpider 2D Image | (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-{[(2S,3S,4S,5S,6S)-4,5-Dihydroxy-6-methoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]ox y}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione | C36H65NO13

(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-{[(2S,3S,4S,5S,6S)-4,5-Dihydroxy-6-methoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]ox y}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

  • Molecular FormulaC36H65NO13
  • Average mass719.900 Da
  • Monoisotopic mass719.445618 Da
  • ChemSpider ID8344643

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-{[(2S,3S,4S,5S,6S)-4,5-Dihydroxy-6-methoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]ox y}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-{[(2S,3S,4S,5S,6S)-4,5-Dihydroxy-6-methoxy-3-methyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]ox y}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-{[(2S,3S,4S,5S,6S)-4,5-Dihydroxy-6-méthoxy-3-méthyltétrahydro-2H-pyran-2-yl]oxy}-6-{[(2R,3S,4R,6S)-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]ox y}-14-éthyl-7,12-dihydroxy-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-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: 828.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.1±6.0 kJ/mol
Flash Point: 455.1±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 184.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 53.14
Polar Surface Area: 194 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 592.2±5.0 cm3

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