ChemSpider 2D Image | (3R,4R,5S,6R,7R,9R,10E,11R,12R,13S,14S)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-{[(1R,3R,4S,5R)-4-hydroxy-3- methoxy-3,5-dimethylcyclohexyl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one | C38H70N2O12

(3R,4R,5S,6R,7R,9R,10E,11R,12R,13S,14S)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-{[(1R,3R,4S,5R)-4-hydroxy-3- methoxy-3,5-dimethylcyclohexyl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one

  • Molecular FormulaC38H70N2O12
  • Average mass746.969 Da
  • Monoisotopic mass746.492859 Da
  • ChemSpider ID9449185

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3R,4R,5S,6R,7R,9R,10E,11R,12R,13S,14S)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-{[(1R,3R,4S,5R)-4-hydroxy-3- methoxy-3,5-dimethylcyclohexyl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-on [German] [ACD/IUPAC Name]
(3R,4R,5S,6R,7R,9R,10E,11R,12R,13S,14S)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-{[(1R,3R,4S,5R)-4-hydroxy-3- methoxy-3,5-dimethylcyclohexyl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one [ACD/IUPAC Name]
(3R,4R,5S,6R,7R,9R,10E,11R,12R,13S,14S)-6-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-{[(1R,3R,4S,5R)-4-hydroxy-3- méthoxy-3,5-diméthylcyclohexyl]oxy}-3,5,7,9,11,13-hexaméthyloxacyclotétradécan-2-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 830.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.2±6.0 kJ/mol
Flash Point: 455.8±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 189.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 8.15
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 63.07
ACD/KOC (pH 7.4): 414.65
Polar Surface Area: 200 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 590.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement