ChemSpider 2D Image | PALMYRAMIDE A | C36H53N3O9

PALMYRAMIDE A

  • Molecular FormulaC36H53N3O9
  • Average mass671.821 Da
  • Monoisotopic mass671.378174 Da
  • ChemSpider ID24667037
  • defined stereocentres - 6 of 6 defined stereocentres


More details:



Featured data source



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(3R,6S,9R,13S,16S,21aS)-16-Benzyl-3,6-diisopropyl-2,10,10,13-tetramethyl-9-propyloctahydro-1H,9H-pyrrolo[1,2-g][1,4,16,7,10,13]trioxatriazacyclononadecin-1,4,7,11,14,17(10H,13H,16H)-hexon [German] [ACD/IUPAC Name]
(3R,6S,9R,13S,16S,21aS)-16-Benzyl-3,6-diisopropyl-2,10,10,13-tetramethyl-9-propyloctahydro-1H,9H-pyrrolo[1,2-g][1,4,16,7,10,13]trioxatriazacyclononadecine-1,4,7,11,14,17(10H,13H,16H)-hexone [ACD/IUPAC Name]
(3R,6S,9R,13S,16S,21aS)-16-Benzyl-3,6-diisopropyl-2,10,10,13-tétraméthyl-9-propyloctahydro-1H,9H-pyrrolo[1,2-g][1,4,16,7,10,13]trioxatriazacyclononadécine-1,4,7,11,14,17(10H,13H,16H)-hexone [French] [ACD/IUPAC Name]
1H,9H-Pyrrolo[1,2-g][1,4,16,7,10,13]trioxatriazacyclononadecine-1,4,7,11,14,17(10H,13H,16H)-hexone, octahydro-2,10,10,13-tetramethyl-3,6-bis(1-methylethyl)-16-(phenylmethyl)-9-propyl-, (3R,6S,9R,13S,1 6S,21aS)- [ACD/Index Name]
PALMYRAMIDE A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 892.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 493.7±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 178.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.37
ACD/KOC (pH 5.5): 867.53
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.37
ACD/KOC (pH 7.4): 867.53
Polar Surface Area: 149 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 563.6±5.0 cm3

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