ChemSpider 2D Image | 2-Methyl-2-propanyl (6aR,7aR,11aR,12aR)-3-(2-ethoxy-2-oxoethoxy)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylate | C26H37NO7

2-Methyl-2-propanyl (6aR,7aR,11aR,12aR)-3-(2-ethoxy-2-oxoethoxy)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylate

  • Molecular FormulaC26H37NO7
  • Average mass475.574 Da
  • Monoisotopic mass475.256989 Da
  • ChemSpider ID60574960

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aR,7aR,11aR,12aR)-3-(2-Éthoxy-2-oxoéthoxy)-6,6-diméthyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chroméno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (6aR,7aR,11aR,12aR)-3-(2-ethoxy-2-oxoethoxy)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(6aR,7aR,11aR,12aR)-3-(2-ethoxy-2-oxoethoxy)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-carboxylat [German] [ACD/IUPAC Name]
6H,7H-[1]Benzopyrano[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylic acid, 3-(2-ethoxy-2-oxoethoxy)-6a,7a,10,11,11a,12a-hexahydro-6,6-dimethyl-, 1,1-dimethylethyl ester, (6aR,7aR,11aR,12aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.3±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2465.16
ACD/KOC (pH 5.5): 9321.33
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2465.16
ACD/KOC (pH 7.4): 9321.33
Polar Surface Area: 84 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 416.0±3.0 cm3

Click to predict properties on the Chemicalize site


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