ChemSpider 2D Image | Ethyl (1'S,5'R,6'R)-3'-bromo-4''H-dispiro[1,3-dioxane-2,2'-[7]oxabicyclo[4.1.0]hept[3]ene-5',5''-[1,2]oxazole]-3''-carboxylate | C14H16BrNO6

Ethyl (1'S,5'R,6'R)-3'-bromo-4''H-dispiro[1,3-dioxane-2,2'-[7]oxabicyclo[4.1.0]hept[3]ene-5',5''-[1,2]oxazole]-3''-carboxylate

  • Molecular FormulaC14H16BrNO6
  • Average mass374.184 Da
  • Monoisotopic mass373.016083 Da
  • ChemSpider ID30809899

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Dispiro[1,3-dioxane-2,2'-[7]oxabicyclo[4.1.0]hept[3]ene-5',5''(4''H)-isoxazole]-3''-carboxylic acid, 3'-bromo-, ethyl ester, (1'S,5'R,6'R)- [ACD/Index Name]
Ethyl (1'S,5'R,6'R)-3'-bromo-4''H-dispiro[1,3-dioxane-2,2'-[7]oxabicyclo[4.1.0]hept[3]ene-5',5''-[1,2]oxazole]-3''-carboxylate [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 477.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.6±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.74
ACD/KOC (pH 5.5): 965.23
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.74
ACD/KOC (pH 7.4): 965.23
Polar Surface Area: 79 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 200.8±7.0 cm3

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