ChemSpider 2D Image | Ethyl (2R,4aR,6S,9bS)-6-methoxy-2-phenyl-4a,6,8,9b-tetrahydro-4H-[1,3]dioxino[4',5':5,6]pyrano[3,4-c]pyrrole-7-carboxylate | C19H21NO6

Ethyl (2R,4aR,6S,9bS)-6-methoxy-2-phenyl-4a,6,8,9b-tetrahydro-4H-[1,3]dioxino[4',5':5,6]pyrano[3,4-c]pyrrole-7-carboxylate

  • Molecular FormulaC19H21NO6
  • Average mass359.373 Da
  • Monoisotopic mass359.136902 Da
  • ChemSpider ID30658870

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4aR,6S,9bS)-6-Méthoxy-2-phényl-4a,6,8,9b-tétrahydro-4H-[1,3]dioxino[4',5':5,6]pyrano[3,4-c]pyrrole-7-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-1,3-Dioxino[4',5':5,6]pyrano[3,4-c]pyrrole-7-carboxylic acid, 4a,6,8,9b-tetrahydro-6-methoxy-2-phenyl-, ethyl ester, (2R,4aR,6S,9bS)- [ACD/Index Name]
Ethyl (2R,4aR,6S,9bS)-6-methoxy-2-phenyl-4a,6,8,9b-tetrahydro-4H-[1,3]dioxino[4',5':5,6]pyrano[3,4-c]pyrrole-7-carboxylate [ACD/IUPAC Name]
Ethyl-(2R,4aR,6S,9bS)-6-methoxy-2-phenyl-4a,6,8,9b-tetrahydro-4H-[1,3]dioxino[4',5':5,6]pyrano[3,4-c]pyrrol-7-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.5±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.46
ACD/KOC (pH 5.5): 1423.21
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.46
ACD/KOC (pH 7.4): 1423.21
Polar Surface Area: 79 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 268.6±5.0 cm3

Click to predict properties on the Chemicalize site


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