ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[(2S)-2-{[(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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propanyl}carbam ate | C30H43N3O6

2-Methyl-2-propanyl {1-[(2S)-2-{[(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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propanyl}carbam ate

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID60574589

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

{1-[(2S)-2-{[(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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propanyl}carbamate de 2-méthyl-2-pr opanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[(2S)-2-{[(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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propanyl}carbam ate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[(2S)-2-{[(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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propanyl}carbam at [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(2S)-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]carbonyl]-1-pyrrolidinyl]-1-methyl-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: 705.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 145.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1466.62
ACD/KOC (pH 5.5): 6427.58
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1466.49
ACD/KOC (pH 7.4): 6427.00
Polar Surface Area: 97 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 461.9±3.0 cm3

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