ChemSpider 2D Image | (2S,3S,7S,8R,9R,10R,11R,13S,14R,17R)-13-Chloro-8,17-dimethyl-4,12-bis(methylene)-16-oxo-15,18-dioxatetracyclo[9.6.1.0~1,14~.0~3,8~]octadecane-2,7,9,10-tetrayl tetraacetate | C28H35ClO11

(2S,3S,7S,8R,9R,10R,11R,13S,14R,17R)-13-Chloro-8,17-dimethyl-4,12-bis(methylene)-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-2,7,9,10-tetrayl tetraacetate

  • Molecular FormulaC28H35ClO11
  • Average mass583.024 Da
  • Monoisotopic mass582.186768 Da
  • ChemSpider ID160981

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2S,3S,7S,8R,9R,10R,11R,13S,14R,17R)-13-Chlor-8,17-dimethyl-4,12-dimethylen-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-2,7,9,10-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2S,3S,7S,8R,9R,10R,11R,13S,14R,17R)-13-Chloro-8,17-dimethyl-4,12-bis(methylene)-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-2,7,9,10-tetrayl tetraacetate [ACD/IUPAC Name]
5H-6,13a-Epoxybenzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 7,8,9,13-tetrakis(acetyloxy)-4-chlorododecahydro-1,8a-dimethyl-5,12-bis(methylene)-, (1R,3aR,4S,6R,7R,8R,8aR,9S,12aS,13S)- [ACD/Index Name]
Tetraacétate de (2S,3S,7S,8R,9R,10R,11R,13S,14R,17R)-13-chloro-8,17-diméthyl-4,12-diméthylène-16-oxo-15,18-dioxatétracyclo[9.6.1.01,14.03,8]octadécane-2,7,9,10-tétrayle [French] [ACD/IUPAC Name]
92508-09-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 197.0±30.5 °C
Index of Refraction: 1.542
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 363.57
ACD/KOC (pH 5.5): 2368.51
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 363.57
ACD/KOC (pH 7.4): 2368.51
Polar Surface Area: 141 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

Click to predict properties on the Chemicalize site


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