ChemSpider 2D Image | 7a-Ethyl 9-(2-methyl-2-propanyl) (6aS,7aS,11aS,12aS)-4-ethoxy-6,6-dimethyl-6a,11,11a,12a-tetrahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-7a,9(8H,10H)-dicarboxylate | C27H39NO7

7a-Ethyl 9-(2-methyl-2-propanyl) (6aS,7aS,11aS,12aS)-4-ethoxy-6,6-dimethyl-6a,11,11a,12a-tetrahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-7a,9(8H,10H)-dicarboxylate

  • Molecular FormulaC27H39NO7
  • Average mass489.601 Da
  • Monoisotopic mass489.272644 Da
  • ChemSpider ID60574776

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aS,7aS,11aS,12aS)-4-Éthoxy-6,6-diméthyl-6a,11,11a,12a-tétrahydro-6H,7H-chroméno[3',4':5,6]pyrano[3,2-c]pyridine-7a,9(8H,10H)-dicarboxylate de 7a-éthyle et de 9-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
6H,7H-[1]Benzopyrano[3',4':5,6]pyrano[3,2-c]pyridine-7a,9(8H,10H)-dicarboxylic acid, 4-ethoxy-6a,11,11a,12a-tetrahydro-6,6-dimethyl-, 9-(1,1-dimethylethyl) 7a-ethyl ester, (6aS,7aS,11aS,12aS)- [ACD/Index Name]
7a-Ethyl 9-(2-methyl-2-propanyl) (6aS,7aS,11aS,12aS)-4-ethoxy-6,6-dimethyl-6a,11,11a,12a-tetrahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-7a,9(8H,10H)-dicarboxylate [ACD/IUPAC Name]
7a-Ethyl-9-(2-methyl-2-propanyl)-(6aS,7aS,11aS,12aS)-4-ethoxy-6,6-dimethyl-6a,11,11a,12a-tetrahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-7a,9(8H,10H)-dicarboxylat [German] [ACD/IUPAC 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: 549.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.1±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19635.12
ACD/KOC (pH 5.5): 41166.14
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19635.12
ACD/KOC (pH 7.4): 41166.14
Polar Surface Area: 84 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 428.3±3.0 cm3

Click to predict properties on the Chemicalize site


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