ChemSpider 2D Image | (2R,3R,4S,5S,8R,9R,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-y l]oxy}-2,4,8,10,12,14-hexamethyl(3-~3~H)-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one | C38H66TNO10

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

  • Molecular FormulaC38H66TNO10
  • Average mass699.947 Da
  • Monoisotopic mass699.484741 Da
  • ChemSpider ID8851550

  • defined stereocentres - 16 of 16 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R,4S,5S,8R,9R,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-y ;l]oxy}-2,4,8,10,12,14-hexamethyl(3-3H)-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-on [German] [ACD/IUPAC Name]
(2R,3R,4S,5S,8R,9R,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-y ;l]oxy}-2,4,8,10,12,14-hexamethyl(3-3H)-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one [ACD/IUPAC Name]
(2R,3R,4S,5S,8R,9R,10S,11R,12R)-5-Éthyl-11-({(2S,3R,4S,6R)-4-[éthyl(méthyl)amino]-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-3-hydroxy-9-{[(2S,4S,6S)-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-y ;l]oxy}-2,4,8,10,12,14-hexaméthyl(3-3H)-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:
Boiling Point: 758.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.1±6.0 kJ/mol
Flash Point: 412.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 17.05
ACD/KOC (pH 5.5): 50.68
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 851.77
ACD/KOC (pH 7.4): 2531.73
Polar Surface Area: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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