ChemSpider 2D Image | 2-Methyl-2-propanyl (6S,6aS,7aS,11aS,12aS)-4-methoxy-6-methyl-6-(4-methyl-3-penten-1-yl)-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylate | C28H41NO5

2-Methyl-2-propanyl (6S,6aS,7aS,11aS,12aS)-4-methoxy-6-methyl-6-(4-methyl-3-penten-1-yl)-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylate

  • Molecular FormulaC28H41NO5
  • Average mass471.629 Da
  • Monoisotopic mass471.298462 Da
  • ChemSpider ID60574689

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S,6aS,7aS,11aS,12aS)-4-Méthoxy-6-méthyl-6-(4-méthyl-3-pentén-1-yl)-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 (6S,6aS,7aS,11aS,12aS)-4-methoxy-6-methyl-6-(4-methyl-3-penten-1-yl)-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-(6S,6aS,7aS,11aS,12aS)-4-methoxy-6-methyl-6-(4-methyl-3-penten-1-yl)-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, 6a,7a,10,11,11a,12a-hexahydro-4-methoxy-6-methyl-6-(4-methyl-3-penten-1-yl)-, 1,1-dimethylethyl ester, (6S,6aS,7aS,11aS,12aS )- [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: 548.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70054.43
ACD/KOC (pH 5.5): 102315.98
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70054.43
ACD/KOC (pH 7.4): 102315.98
Polar Surface Area: 57 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 440.0±3.0 cm3

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