Found 2 results

Search term: SOGYYQFUWZEKJU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,1'R,2R,2'R,6S,6'S,7S,7'S)-4,4'-Bi(10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane)-3,3',5,5'-tetrone | C16H16N2O6

(1R,1'R,2R,2'R,6S,6'S,7S,7'S)-4,4'-Bi(10-oxa-4-azatricyclo[5.2.1.02,6]decane)-3,3',5,5'-tetrone

  • Molecular FormulaC16H16N2O6
  • Average mass332.308 Da
  • Monoisotopic mass332.100830 Da
  • ChemSpider ID98606505

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,1'R,2R,2'R,6S,6'S,7S,7'S)-4,4'-Bi(10-oxa-4-azatricyclo[5.2.1.02,6]decane)-3,3',5,5'-tetrone [ACD/IUPAC Name]
(1R,1'R,2R,2'R,6S,6'S,7S,7'S)-4,4'-Bi(10-oxa-4-azatricyclo[5.2.1.02,6]décane)-3,3',5,5'-tétrone [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 528.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.4±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.68
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.89
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.89
Polar Surface Area: 93 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


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