Found 1 result

Search term: SFODTIXDDVUITG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2R,6S,9aR)-9a-hydroxy-6-methoxy-8-oxo-2-phenyl-4,4a,6,8,9a,9b-hexahydrofuro[2',3':4,5]pyrano[3,2-d][1,3]dioxine-7-carboxylate | C18H18O9

Methyl (2R,6S,9aR)-9a-hydroxy-6-methoxy-8-oxo-2-phenyl-4,4a,6,8,9a,9b-hexahydrofuro[2',3':4,5]pyrano[3,2-d][1,3]dioxine-7-carboxylate

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID30651227

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2R,6S,9aR)-9a-Hydroxy-6-méthoxy-8-oxo-2-phényl-4,4a,6,8,9a,9b-hexahydrofuro[2',3':4,5]pyrano[3,2-d][1,3]dioxine-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
Furo[2',3':4,5]pyrano[3,2-d]-1,3-dioxin-7-carboxylic acid, 4,4a,6,8,9a,9b-hexahydro-9a-hydroxy-6-methoxy-8-oxo-2-phenyl-, methyl ester, (2R,6S,9aR)- [ACD/Index Name]
Methyl (2R,6S,9aR)-9a-hydroxy-6-methoxy-8-oxo-2-phenyl-4,4a,6,8,9a,9b-hexahydrofuro[2',3':4,5]pyrano[3,2-d][1,3]dioxine-7-carboxylate [ACD/IUPAC Name]
Methyl-(2R,6S,9aR)-9a-hydroxy-6-methoxy-8-oxo-2-phenyl-4,4a,6,8,9a,9b-hexahydrofuro[2',3':4,5]pyrano[3,2-d][1,3]dioxin-7-carboxylat [German] [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: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 235.8±25.0 °C
Index of Refraction: 1.607
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.19
ACD/KOC (pH 5.5): 573.71
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 44.67
ACD/KOC (pH 7.4): 510.70
Polar Surface Area: 110 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 254.1±5.0 cm3

Click to predict properties on the Chemicalize site


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