ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-[(6aR,7aS,11aR,12aR)-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-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamate | C33H41N3O5

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

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID68649479

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S)-1-[(6aR,7aS,11aR,12aR)-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-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-[(6aR,7aS,11aR,12aR)-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-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-[(6aR,7aS,11aR,12aR)-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-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[(6aR,7aS,11aR,12aR)-6a,7a,10,11,11a,12a-hexahydro-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-dimethy lethyl 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: 751.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.4±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40779.84
ACD/KOC (pH 5.5): 69460.78
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40776.12
ACD/KOC (pH 7.4): 69454.45
Polar Surface Area: 93 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 467.9±3.0 cm3

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