ChemSpider 2D Image | (3aR,4aR,7R,8aS,9R,9aR)-2-Methyl-7-phenyl-3a,4a,5,8a,9,9a-hexahydro[1,3]dioxino[4',5':5,6]pyrano[3,2-d][1,3]oxazol-9-yl acetate | C17H19NO6

(3aR,4aR,7R,8aS,9R,9aR)-2-Methyl-7-phenyl-3a,4a,5,8a,9,9a-hexahydro[1,3]dioxino[4',5':5,6]pyrano[3,2-d][1,3]oxazol-9-yl acetate

  • Molecular FormulaC17H19NO6
  • Average mass333.336 Da
  • Monoisotopic mass333.121246 Da
  • ChemSpider ID30658743

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aR,4aR,7R,8aS,9R,9aR)-2-Methyl-7-phenyl-3a,4a,5,8a,9,9a-hexahydro[1,3]dioxino[4',5':5,6]pyrano[3,2-d][1,3]oxazol-9-yl acetate [ACD/IUPAC Name]
(3aR,4aR,7R,8aS,9R,9aR)-2-Methyl-7-phenyl-3a,4a,5,8a,9,9a-hexahydro[1,3]dioxino[4',5':5,6]pyrano[3,2-d][1,3]oxazol-9-yl-acetat [German] [ACD/IUPAC Name]
[1,3]Dioxino[4',5':5,6]pyrano[3,2-d]oxazol-9-ol, 3a,4a,5,8a,9,9a-hexahydro-2-methyl-7-phenyl-, acetate (ester), (3aR,4aR,7R,8aS,9R,9aR)- [ACD/Index Name]
Acétate de (3aR,4aR,7R,8aS,9R,9aR)-2-méthyl-7-phényl-3a,4a,5,8a,9,9a-hexahydro[1,3]dioxino[4',5':5,6]pyrano[3,2-d][1,3]oxazol-9-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 463.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 200.3±23.2 °C
Index of Refraction: 1.641
Molar Refractivity: 81.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.97
ACD/KOC (pH 5.5): 574.48
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.80
ACD/KOC (pH 7.4): 595.12
Polar Surface Area: 76 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 224.9±7.0 cm3

Click to predict properties on the Chemicalize site


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