ChemSpider 2D Image | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-Amino-20-{[2-(dimethylamino)ethoxy]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,22-dioxo-2-azabicyclo[16.3.1]docosa-1,4,6,10,18,20-hexaen-9-yl carbama te | C32H49N5O8

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-Amino-20-{[2-(dimethylamino)ethoxy]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,22-dioxo-2-azabicyclo[16.3.1]docosa-1,4,6,10,18,20-hexaen-9-yl carbama te

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID20565863

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-Amino-20-{[2-(dimethylamino)ethoxy]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,22-dioxo-2-azabicyclo[16.3.1]docosa-1,4,6,10,18,20-hexaen-9-yl carbama te [ACD/IUPAC Name]
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-Amino-20-{[2-(dimethylamino)ethoxy]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,22-dioxo-2-azabicyclo[16.3.1]docosa-1,4,6,10,18,20-hexaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1,4,6,10,18,20-hexaene-3,22-dione, 19-amino-9-[(aminocarbonyl)oxy]-20-[[2-(dimethylamino)ethoxy]amino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (4E,6Z,8S,9S,10E,12 S,13R,14S,16R)- [ACD/Index Name]
Carbamate de (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-20-{[2-(diméthylamino)éthoxy]amino}-13-hydroxy-8,14-diméthoxy-4,10,12,16-tétraméthyl-3,22-dioxo-2-azabicyclo[16.3.1]docosa-1,4,6,10,18,20-hexaén -9-yle [French] [ACD/IUPAC 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: 712.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.0±6.0 kJ/mol
Flash Point: 384.4±35.7 °C
Index of Refraction: 1.564
Molar Refractivity: 166.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.19
Polar Surface Area: 188 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 511.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement