ChemSpider 2D Image | N-{(1R,2R,6S,6aS,11bS,11cS)-6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-10-(2-naphthyloxy)-4-[(tetrahydro-2H-pyran-2-yloxy)imino]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-3-cyclopentyl-N-[2-(2-h ydroxyethoxy)ethyl]propanamide | C54H72N2O10

N-{(1R,2R,6S,6aS,11bS,11cS)-6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-10-(2-naphthyloxy)-4-[(tetrahydro-2H-pyran-2-yloxy)imino]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-3-cyclopentyl-N-[2-(2-h ydroxyethoxy)ethyl]propanamide

  • Molecular FormulaC54H72N2O10
  • Average mass909.157 Da
  • Monoisotopic mass908.518677 Da
  • ChemSpider ID5067506

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Cyclopentanepropanamide, N-[2-(2-hydroxyethoxy)ethyl]-N-[(1R,2R,6S,6aS,11bS,11cS)-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-10-(2-naphthalenyloxy)-6a-(2-propen-1-yloxy)-4-[[(tetrahydro-2H -pyran-2-yl)oxy]imino]benzo[kl]xanthen-6-yl]- [ACD/Index Name]
N-{(1R,2R,6S,6aS,11bS,11cS)-6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-10-(2-naphthyloxy)-4-[(tetrahydro-2H-pyran-2-yloxy)imino]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-3-cyclopentyl-N-[2-(2-h ydroxyethoxy)ethyl]propanamid [German] [ACD/IUPAC Name]
N-{(1R,2R,6S,6aS,11bS,11cS)-6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-10-(2-naphthyloxy)-4-[(tetrahydro-2H-pyran-2-yloxy)imino]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}-3-cyclopentyl-N-[2-(2-h ydroxyethoxy)ethyl]propanamide [ACD/IUPAC Name]
N-{(1R,2R,6S,6aS,11bS,11cS)-6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-10-(2-naphtyloxy)-4-[(tétrahydro-2H-pyran-2-yloxy)imino]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl}-3-cyclopentyl-N-[2-(2-hy droxyéthoxy)éthyl]propanamide [French] [ACD/IUPAC Name]
CLL1_009100

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

Density: 1.3±0.1 g/cm3
Boiling Point: 976.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.0±3.0 kJ/mol
Flash Point: 544.1±37.1 °C
Index of Refraction: 1.613
Molar Refractivity: 250.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 8.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1634909.88
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1634909.88
Polar Surface Area: 149 Å2
Polarizability: 99.2±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 718.7±7.0 cm3

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