ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S)-3-(1H-indol-3-yl)-1-[(6aS,7aR,11aS,12aS)-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]-1-oxo-2-propanyl}carbama te | C34H43N3O6

2-Methyl-2-propanyl {(2S)-3-(1H-indol-3-yl)-1-[(6aS,7aR,11aS,12aS)-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]-1-oxo-2-propanyl}carbama te

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID68649480

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(2S)-3-(1H-Indol-3-yl)-1-[(6aS,7aR,11aS,12aS)-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]-1-oxo-2-propanyl}carbamate de 2-méthyl-2-pro panyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-3-(1H-indol-3-yl)-1-[(6aS,7aR,11aS,12aS)-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]-1-oxo-2-propanyl}carbama te [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-3-(1H-indol-3-yl)-1-[(6aS,7aR,11aS,12aS)-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]-1-oxo-2-propanyl}carbama t [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[(6aS,7aR,11aS,12aS)-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]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1 ,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.0±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42304.60
ACD/KOC (pH 5.5): 71310.07
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42300.75
ACD/KOC (pH 7.4): 71303.57
Polar Surface Area: 102 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 491.9±3.0 cm3

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