Found 1 result

Search term: 95532215 (Found by CSID)
ChemSpider 2D Image | (1R,2S,5S,8S,10S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.0~2,11~.0~5,10~]hexadec-3-yl acetate | C21H24O7

(1R,2S,5S,8S,10S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-3-yl acetate

  • Molecular FormulaC21H24O7
  • Average mass388.411 Da
  • Monoisotopic mass388.152191 Da
  • ChemSpider ID95532215

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,5S,8S,10S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-3-yl acetate [ACD/IUPAC Name]
(1R,2S,5S,8S,10S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-3-yl-acetat [German] [ACD/IUPAC Name]
7,10-Methano-2H-pyrano[4,3-g][3]benzoxepin-4,8(1H,6H)-dione, 6-(acetyloxy)-2-(3-furanyl)octahydro-11b-methyl-, (2S,4aS,6aS,7R,10R,11aR,11bS)- [ACD/Index Name]
Acétate de (1R,2S,5S,8S,10S,11R,13R)-8-(3-furyl)-10-méthyl-6,15-dioxo-7,14-dioxatétracyclo[11.2.1.02,11.05,10]hexadéc-3-yle [French] [ACD/IUPAC 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: 586.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.7±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.50
ACD/KOC (pH 5.5): 85.29
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.50
ACD/KOC (pH 7.4): 85.29
Polar Surface Area: 92 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 288.9±5.0 cm3

Click to predict properties on the Chemicalize site


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