ChemSpider 2D Image | 13,20-Dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate | C29H44N2O8

13,20-Dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate

  • Molecular FormulaC29H44N2O8
  • Average mass548.668 Da
  • Monoisotopic mass548.309753 Da
  • ChemSpider ID8091139

  • Double-bond stereo - Double-bond stereo

More details:

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

13,20-Dihydroxy-8,14,19-trimethoxy-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]
13,20-Dihydroxy-8,14,19-trimethoxy-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]-13,20-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl- [ACD/Index Name]
Carbamate de 13,20-dihydroxy-8,14,19-triméthoxy-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]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 753.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.5±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 266.88
ACD/KOC (pH 5.5): 1898.23
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 265.59
ACD/KOC (pH 7.4): 1889.03
Polar Surface Area: 150 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 457.9±5.0 cm3

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