ChemSpider 2D Image | (4E,8S,9S,10E,12S,13R,14S,16S,17S)-22-Hydroxy-8,13,14-trimethoxy-17-(4-methoxyphenyl)-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate | C36H50N2O8

(4E,8S,9S,10E,12S,13R,14S,16S,17S)-22-Hydroxy-8,13,14-trimethoxy-17-(4-methoxyphenyl)-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate

  • Molecular FormulaC36H50N2O8
  • Average mass638.791 Da
  • Monoisotopic mass638.356689 Da
  • ChemSpider ID128442765

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4E,8S,9S,10E,12S,13R,14S,16S,17S)-22-Hydroxy-8,13,14-trimethoxy-17-(4-methoxyphenyl)-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate [ACD/IUPAC Name]
(4E,8S,9S,10E,12S,13R,14S,16S,17S)-22-Hydroxy-8,13,14-trimethoxy-17-(4-methoxyphenyl)-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-one, 9-[(aminocarbonyl)oxy]-22-hydroxy-8,13,14-trimethoxy-17-(4-methoxyphenyl)-4,10,12,16-tetramethyl-, (4E,8S,9S,10E,12S,13R,14S,16S,17S)- [ACD/Index Name]
Carbamate de (4E,8S,9S,10E,12S,13R,14S,16S,17S)-22-hydroxy-8,13,14-triméthoxy-17-(4-méthoxyphényl)-4,10,12,16-tétraméthyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaén-9-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4528258/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7518.30
ACD/KOC (pH 5.5): 20705.75
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7468.46
ACD/KOC (pH 7.4): 20568.49
Polar Surface Area: 139 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 541.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement