ChemSpider 2D Image | (1E,3E,5E,9R,11E,15S,19S,20aR)-15,18-Dihydroxy-19-methoxy-2-methyl-9-phenyl-9,10,13,14,15,16,20,20a-octahydrocyclopenta[i]azacyclononadecine-7,17(8H,19H)-dione | C29H35NO5

(1E,3E,5E,9R,11E,15S,19S,20aR)-15,18-Dihydroxy-19-methoxy-2-methyl-9-phenyl-9,10,13,14,15,16,20,20a-octahydrocyclopenta[i]azacyclononadecine-7,17(8H,19H)-dione

  • Molecular FormulaC29H35NO5
  • Average mass477.592 Da
  • Monoisotopic mass477.251526 Da
  • ChemSpider ID25992468

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1E,3E,5E,9R,11E,15S,19S,20aR)-15,18-Dihydroxy-19-methoxy-2-methyl-9-phenyl-9,10,13,14,15,16,20,20a-octahydrocyclopenta[i]azacyclononadecin-7,17(8H,19H)-dion [German] [ACD/IUPAC Name]
(1E,3E,5E,9R,11E,15S,19S,20aR)-15,18-Dihydroxy-19-methoxy-2-methyl-9-phenyl-9,10,13,14,15,16,20,20a-octahydrocyclopenta[i]azacyclononadecine-7,17(8H,19H)-dione [ACD/IUPAC Name]
(1E,3E,5E,9R,11E,15S,19S,20aR)-15,18-Dihydroxy-19-méthoxy-2-méthyl-9-phényl-9,10,13,14,15,16,20,20a-octahydrocyclopenta[i]azacyclononadécine-7,17(8H,19H)-dione [French] [ACD/IUPAC Name]
Cyclopent[i]azacyclononadecine-7,17(8H,19H)-dione, 9,10,13,14,15,16,20,20a-octahydro-15,18-dihydroxy-19-methoxy-2-methyl-9-phenyl-, (1E,3E,5E,9R,11E,15S,19S,20aR)- [ACD/Index Name]
(1R,2Z,4E,6E,10R,12E,16S,21S)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.8±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 9.87
ACD/KOC (pH 5.5): 89.86
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 96 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 397.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement