ChemSpider 2D Image | (1S,2R,5S,8S,10S,11S,13S,16R)-8-(3-Furyl)-1,16-dihydroxy-2,10-dimethyl-7,14-dioxatetracyclo[11.2.1.0~2,11~.0~5,10~]hexadecane-6,15-dione | C20H24O7

(1S,2R,5S,8S,10S,11S,13S,16R)-8-(3-Furyl)-1,16-dihydroxy-2,10-dimethyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-6,15-dione

  • Molecular FormulaC20H24O7
  • Average mass376.400 Da
  • Monoisotopic mass376.152191 Da
  • ChemSpider ID30656645

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,5S,8S,10S,11S,13S,16R)-8-(3-Furyl)-1,16-dihydroxy-2,10-dimethyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-6,15-dion [German] [ACD/IUPAC Name]
(1S,2R,5S,8S,10S,11S,13S,16R)-8-(3-Furyl)-1,16-dihydroxy-2,10-dimethyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-6,15-dione [ACD/IUPAC Name]
(1S,2R,5S,8S,10S,11S,13S,16R)-8-(3-Furyl)-1,16-dihydroxy-2,10-diméthyl-7,14-dioxatétracyclo[11.2.1.02,11.05,10]hexadécane-6,15-dione [French] [ACD/IUPAC Name]
7,10-Methano-2H-pyrano[4,3-g][3]benzoxepin-4,8(1H,6H)-dione, 2-(3-furanyl)octahydro-7,12-dihydroxy-6a,11b-dimethyl-, (2S,4aS,6aR,7S,10S,11aS,11bS,12R)- [ACD/Index 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: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 36.33
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 36.33
Polar Surface Area: 106 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

Click to predict properties on the Chemicalize site


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