ChemSpider 2D Image | (1S,4S,7S,10R,16R,20S)-4-Benzyl-14-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)-20-hydroxy-10-isobutyl-7,8-dimethyl-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tetrone | C36H47N5O8

(1S,4S,7S,10R,16R,20S)-4-Benzyl-14-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)-20-hydroxy-10-isobutyl-7,8-dimethyl-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

  • Molecular FormulaC36H47N5O8
  • Average mass677.787 Da
  • Monoisotopic mass677.342468 Da
  • ChemSpider ID71344553

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4S,7S,10R,16R,20S)-4-Benzyl-14-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)-20-hydroxy-10-isobutyl-7,8-dimethyl-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosan-3,6,9,12-tetron [German] [ACD/IUPAC Name]
(1S,4S,7S,10R,16R,20S)-4-Benzyl-14-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)-20-hydroxy-10-isobutyl-7,8-dimethyl-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tetrone [ACD/IUPAC Name]
(1S,4S,7S,10R,16R,20S)-4-Benzyl-14-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)-20-hydroxy-10-isobutyl-7,8-diméthyl-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tétrone [French] [ACD/IUPAC Name]
17-Oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]eicosane-3,6,9,12-tetrone, 14-[(2,3-dihydro-5-benzofuranyl)carbonyl]-20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-4-(phenylmethyl)-, (1S,4S,7S,10R,16R,20S)- [ACD/Index 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: 1024.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.7±3.0 kJ/mol
Flash Point: 573.1±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.80
ACD/KOC (pH 5.5): 151.35
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 151.35
Polar Surface Area: 167 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 566.4±3.0 cm3

Click to predict properties on the Chemicalize site


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