Found 2 results

Search term: ONEBNODSYJNGPV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | thuwalenyne A | C15H20Br2O2

thuwalenyne A

  • Molecular FormulaC15H20Br2O2
  • Average mass392.126 Da
  • Monoisotopic mass389.983002 Da
  • ChemSpider ID81363625

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3R,4aR,6S,7S,8aR)-3,7-Dibrom-2-ethyl-6-[(2Z)-2-penten-4-in-1-yl]octahydropyrano[3,2-b]pyran [German] [ACD/IUPAC Name]
(2S,3R,4aR,6S,7S,8aR)-3,7-Dibromo-2-ethyl-6-[(2Z)-2-penten-4-yn-1-yl]octahydropyrano[3,2-b]pyran [ACD/IUPAC Name]
(2S,3R,4aR,6S,7S,8aR)-3,7-Dibromo-2-éthyl-6-[(2Z)-2-pentén-4-yn-1-yl]octahydropyrano[3,2-b]pyrane [French] [ACD/IUPAC Name]
Pyrano[3,2-b]pyran, 3,7-dibromo-2-ethyloctahydro-6-[(2Z)-2-penten-4-yn-1-yl]-, (2S,3R,4aR,6S,7S,8aR)- [ACD/Index Name]
thuwalenyne A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 423.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 175.2±27.2 °C
Index of Refraction: 1.533
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 851.18
ACD/KOC (pH 5.5): 4354.23
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 851.18
ACD/KOC (pH 7.4): 4354.23
Polar Surface Area: 18 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 271.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement