ChemSpider 2D Image | (3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2S,3S,4S,5S,6S)-4-hydroxy-5,6-dimethoxy-3-methyltet rahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione | C37H67NO13

(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2S,3S,4S,5S,6S)-4-hydroxy-5,6-dimethoxy-3-methyltet rahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

  • Molecular FormulaC37H67NO13
  • Average mass733.927 Da
  • Monoisotopic mass733.461243 Da
  • ChemSpider ID8344730

  • 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)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2S,3S,4S,5S,6S)-4-hydroxy-5,6-dimethoxy-3-methyltet rahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-6-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2S,3S,4S,5S,6S)-4-hydroxy-5,6-dimethoxy-3-methyltet rahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-6-{[(2R,3S,4R,6S)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12-dihydroxy-4-{[(2S,3S,4S,5S,6S)-4-hydroxy-5,6-diméthoxy-3-méthyltét rahydro-2H-pyran-2-yl]oxy}-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: 825.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.5±6.0 kJ/mol
Flash Point: 452.8±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 189.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 9.37
ACD/KOC (pH 7.4): 105.95
Polar Surface Area: 183 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 616.9±5.0 cm3

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