ChemSpider 2D Image | 2-Methyl-2-propanyl {(5S)-5-acetamido-6-[(6aS,7aR,11aS,12aS)-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]-6-oxohexyl}carbamate | C30H45N3O6

2-Methyl-2-propanyl {(5S)-5-acetamido-6-[(6aS,7aR,11aS,12aS)-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]-6-oxohexyl}carbamate

  • Molecular FormulaC30H45N3O6
  • Average mass543.695 Da
  • Monoisotopic mass543.330811 Da
  • ChemSpider ID60584801

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(5S)-5-Acétamido-6-[(6aS,7aR,11aS,12aS)-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]-6-oxohexyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(5S)-5-acetamido-6-[(6aS,7aR,11aS,12aS)-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]-6-oxohexyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(5S)-5-acetamido-6-[(6aS,7aR,11aS,12aS)-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]-6-oxohexyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(5S)-5-(acetylamino)-6-[(6aS,7aR,11aS,12aS)-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]-6-oxohexyl]-, 1,1-dimethylethyl e ster [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: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.2±32.9 °C
Index of Refraction: 1.522
Molar Refractivity: 147.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1565.95
ACD/KOC (pH 5.5): 6736.27
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1565.95
ACD/KOC (pH 7.4): 6736.26
Polar Surface Area: 106 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 483.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement