ChemSpider 2D Image | (1S,2E,8S,10R,11R)-6-(Acetoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0~3,7~]tetradeca-2,6-dien-8-yl methacrylate | C21H26O9

(1S,2E,8S,10R,11R)-6-(Acetoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl methacrylate

  • Molecular FormulaC21H26O9
  • Average mass422.426 Da
  • Monoisotopic mass422.157684 Da
  • ChemSpider ID71041956

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2E,8S,10R,11R)-6-(Acetoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl methacrylate [ACD/IUPAC Name]
(1S,2E,8S,10R,11R)-6-(Acetoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-ylmethacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, (4S,6R,7R,10S,11E)-3-[(acetyloxy)methyl]-2,4,5,6,7,8,9,10-octahydro-6,7-dihydroxy-6,10-dimethyl-2-oxo-7,10-epoxycyclodeca[b]furan-4-yl ester [ACD/Index Name]
Méthacrylate de (1S,2E,8S,10R,11R)-6-(acétoxyméthyl)-10,11-dihydroxy-1,10-diméthyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tétradéca-2,6-dién-8-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 206.8±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.69
ACD/KOC (pH 5.5): 189.70
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.69
ACD/KOC (pH 7.4): 189.69
Polar Surface Area: 129 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 310.1±5.0 cm3

Click to predict properties on the Chemicalize site


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