ChemSpider 2D Image | N-{(2S)-1-[(6aR,7aS,11aR,12aR)-3-Methoxy-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-3-[(2-methyl-2-propanyl)oxy]-1-oxo-2-propanyl}acetamide | C27H40N2O6

N-{(2S)-1-[(6aR,7aS,11aR,12aR)-3-Methoxy-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-3-[(2-methyl-2-propanyl)oxy]-1-oxo-2-propanyl}acetamide

  • Molecular FormulaC27H40N2O6
  • Average mass488.616 Da
  • Monoisotopic mass488.288635 Da
  • ChemSpider ID60574499

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acetamide, N-[(1S)-1-[(1,1-dimethylethoxy)methyl]-2-[(6aR,7aS,11aR,12aR)-6a,7a,10,11,11a,12a-hexahydro-3-methoxy-6,6-dimethyl-6H,7H-[1]benzopyrano[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-2-oxoethyl]- [ACD/Index Name]
N-{(2S)-1-[(6aR,7aS,11aR,12aR)-3-Methoxy-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-3-[(2-methyl-2-propanyl)oxy]-1-oxo-2-propanyl}acetamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(6aR,7aS,11aR,12aR)-3-Methoxy-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-3-[(2-methyl-2-propanyl)oxy]-1-oxo-2-propanyl}acetamide [ACD/IUPAC Name]
N-{(2S)-1-[(6aR,7aS,11aR,12aR)-3-Méthoxy-6,6-diméthyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chroméno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-3-[(2-méthyl-2-propanyl)oxy]-1-oxo-2-propanyl}acétamide [French] [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: 662.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1226.42
ACD/KOC (pH 5.5): 5655.17
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1226.42
ACD/KOC (pH 7.4): 5655.17
Polar Surface Area: 86 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 435.3±3.0 cm3

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