ChemSpider 2D Image | (2R,4R,8R,9S,13R)-2-Hydroxy-5,5,9-trimethyl-14-methylene-10,15-dioxotricyclo[11.2.1.0~4,9~]hexadec-1(16)-en-8-yl acetate | C22H30O5

(2R,4R,8R,9S,13R)-2-Hydroxy-5,5,9-trimethyl-14-methylene-10,15-dioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-8-yl acetate

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID28283292

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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(2R,4R,8R,9S,13R)-2-Hydroxy-5,5,9-trimethyl-14-methylen-10,15-dioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-8-yl-acetat [German] [ACD/IUPAC Name]
(2R,4R,8R,9S,13R)-2-Hydroxy-5,5,9-trimethyl-14-methylene-10,15-dioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-8-yl acetate [ACD/IUPAC Name]
10,7-Metheno-7H-benzocycloundecene-8,13-dione, 1-(acetyloxy)-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-6-hydroxy-4,4,13a-trimethyl-9-methylene-, (1R,4aR,6R,10R,13aS)- [ACD/Index Name]
Acétate de (2R,4R,8R,9S,13R)-2-hydroxy-5,5,9-triméthyl-14-méthylène-10,15-dioxotricyclo[11.2.1.04,9]hexadéc-1(16)-én-8-yle [French] [ACD/IUPAC Name]
[885315-96-8] [RN]
885315-96-8 [RN]
kongensin A
MFCD20260534

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 178.4±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.13
ACD/KOC (pH 5.5): 744.13
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.13
ACD/KOC (pH 7.4): 744.13
Polar Surface Area: 81 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 319.3±5.0 cm3

Click to predict properties on the Chemicalize site


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