ChemSpider 2D Image | Methyl (2R,3S,4S,6R,10S,11R)-10,11-diacetoxy-3-(2-chloroacetoxy)-2,4,6,10-tetramethyl-7-oxo-8-tridecynoate | C24H35ClO9

Methyl (2R,3S,4S,6R,10S,11R)-10,11-diacetoxy-3-(2-chloroacetoxy)-2,4,6,10-tetramethyl-7-oxo-8-tridecynoate

  • Molecular FormulaC24H35ClO9
  • Average mass502.982 Da
  • Monoisotopic mass502.196960 Da
  • ChemSpider ID75587333

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,4S,6R,10S,11R)-10,11-Diacétoxy-3-(2-chloroacétoxy)-2,4,6,10-tétraméthyl-7-oxo-8-tridécynoate de méthyle [French] [ACD/IUPAC Name]
8-Tridecynoic acid, 10,11-bis(acetyloxy)-3-[(2-chloroacetyl)oxy]-2,4,6,10-tetramethyl-7-oxo-, methyl ester, (2R,3S,4S,6R,10S,11R)- [ACD/Index Name]
Methyl (2R,3S,4S,6R,10S,11R)-10,11-diacetoxy-3-(2-chloroacetoxy)-2,4,6,10-tetramethyl-7-oxo-8-tridecynoate [ACD/IUPAC Name]
Methyl-(2R,3S,4S,6R,10S,11R)-10,11-diacetoxy-3-(2-chloracetoxy)-2,4,6,10-tetramethyl-7-oxo-8-tridecinoat [German] [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: 548.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 157.1±31.9 °C
Index of Refraction: 1.481
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2685.79
ACD/KOC (pH 5.5): 9911.18
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2685.79
ACD/KOC (pH 7.4): 9911.18
Polar Surface Area: 122 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 432.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement