ChemSpider 2D Image | (1R,2R,3S,5R,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0~2,11~.0~3,8~]hexadeca-8,15-diene-7,13-dione | C20H20O6

(1R,2R,3S,5R,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-diene-7,13-dione

  • Molecular FormulaC20H20O6
  • Average mass356.369 Da
  • Monoisotopic mass356.125977 Da
  • ChemSpider ID30652214

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,2R,3S,5R,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-dien-7,13-dion [German] [ACD/IUPAC Name]
(1R,2R,3S,5R,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-diene-7,13-dione [ACD/IUPAC Name]
(1R,2R,3S,5R,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-diméthyl-6,14-dioxatétracyclo[10.2.2.02,11.03,8]hexadéca-8,15-diène-7,13-dione [French] [ACD/IUPAC Name]
1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione, 9-(3-furanyl)-1,4,4a,5,9,10,10a,10b-octahydro-4-hydroxy-4a,10a-dimethyl-, (1R,4R,4aR,9R,10aS,10bR)- [ACD/Index Name]
(1R,3S,5R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-diene-7,13-dione
Fibleucin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 90.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.21
ACD/KOC (pH 5.5): 220.75
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.21
ACD/KOC (pH 7.4): 220.75
Polar Surface Area: 86 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 252.0±5.0 cm3

Click to predict properties on the Chemicalize site


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