ChemSpider 2D Image | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-Ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl(5-~2~H)tetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[(~2~H_3_ )methylamino](3,4-~2~H_2_)tetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl(12-~2~H)oxacyclotetradecane-2,10-dione (non-preferred name) | C36H58D7NO13

(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-Ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl(5-2H)tetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[(2H3 )methylamino](3,4-2H2)tetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl(12-2H)oxacyclotetradecane-2,10-dione (non-preferred name)

  • Molecular FormulaC36H58D7NO13
  • Average mass726.943 Da
  • Monoisotopic mass726.489502 Da
  • ChemSpider ID107446354

  • defined stereocentres - 18 of 18 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-Ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl(5-2H)tetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[(2H3 )methylamino](3,4-2H2)tetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl(12-2H)oxacyclotetradecan-2,10-dion (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-Ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl(5-2H)tetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[(2H3 )methylamino](3,4-2H2)tetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl(12-2H)oxacyclotetradecane-2,10-dione (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-Éthyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyl(5-2H)tétrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-3-hydroxy-6-méthyl-4-[(2H3 )méthylamino](3,4-2H2)tétrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexaméthyl(12-2H)oxacyclotétradécane-2,10-dione (non-preferred name) [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: 818.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 448.6±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 184.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.10
Polar Surface Area: 203 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 592.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement