ChemSpider 2D Image | (2R,9S,10S,12R)-8,9,12-Trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.0~2,11~.0~5,10~]hexadec-6-ene-3,15-dione | C19H26O6

(2R,9S,10S,12R)-8,9,12-Trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,15-dione

  • Molecular FormulaC19H26O6
  • Average mass350.406 Da
  • Monoisotopic mass350.172943 Da
  • ChemSpider ID20057032

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(2R,9S,10S,12R)-8,9,12-Trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-en-3,15-dion [German] [ACD/IUPAC Name]
(2R,9S,10S,12R)-8,9,12-Trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,15-dione [ACD/IUPAC Name]
(2R,9S,10S,12R)-8,9,12-Trihydroxy-2,6,10,16-tétraméthyl-14-oxatétracyclo[11.2.1.02,11.05,10]hexadéc-6-ène-3,15-dione [French] [ACD/IUPAC Name]
2,5-Methanonaphth[1,2-d]oxepin-4,6-dione, 1,2,5,5a,7,7a,10,11,11a,11b-decahydro-1,10,11-trihydroxy-5a,8,11a,12-tetramethyl-, (1R,5aR,11S,11aS)- [ACD/Index Name]
rel-(1R,5aR,11S,11aS)-1,10,11-trihydroxy-5a,8,11a,12-tetramethyl-1,2,5,5a,7,7a,10,11,11a,11b-decahydro-2,5-methanonaphtho[1,2-d]oxepine-4,6-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 200.8±23.6 °C
Index of Refraction: 1.586
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.97
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.97
Polar Surface Area: 104 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 262.7±3.0 cm3

Click to predict properties on the Chemicalize site


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