Found 4 results

Search term: MF = 'C_{26}H_{34}Cl_{2}O_{6}'
ChemSpider 2D Image | (1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0~2,6~]undec-7-yl 2,3-dichloro-3-phenylpropanoate | C26H34Cl2O6

(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl 2,3-dichloro-3-phenylpropanoate

  • Molecular FormulaC26H34Cl2O6
  • Average mass513.451 Da
  • Monoisotopic mass512.173218 Da
  • ChemSpider ID28501453

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl 2,3-dichloro-3-phenylpropanoate [ACD/IUPAC Name]
(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl-2,3-dichlor-3-phenylpropanoat [German] [ACD/IUPAC Name]
2,3-Dichloro-3-phénylpropanoate de (1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacétoxy)-8-isopropyl-1,5-diméthyl-11-oxatricyclo[6.2.1.02,6]undéc-7-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α,β-dichloro-, (1R,3aR,4S,5R,7R,8S,8aR)-decahydro-5-[(2-hydroxyacetyl)oxy]-1,4-dimethyl-7-(1-methylethyl)-4,7-epoxyazulen-8-yl ester [ACD/Index 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: 586.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1320.51
ACD/KOC (pH 5.5): 5962.46
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1320.51
ACD/KOC (pH 7.4): 5962.44
Polar Surface Area: 82 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 397.5±5.0 cm3

Click to predict properties on the Chemicalize site


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